Skip to content

Best-of update: 2024.10.10 #64

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Merged
merged 1 commit into from
Oct 10, 2024
Merged

Best-of update: 2024.10.10 #64

Show file tree
Hide file tree
Changes from all commits
Commits
Show all changes
1 commit
Select commit
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
106 changes: 53 additions & 53 deletions README.md
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -15,7 +15,7 @@
<a href="https://github.com/deepmodeling/deepmodeling-projects/releases" title="Best-of Updates"><img src="https://img.shields.io/github/release-date/deepmodeling/deepmodeling-projects?color=green&label=updated"></a>
</p>

This curated list contains 38 awesome open-source projects with a total of 3.4K stars grouped into 0 categories. All projects are ranked by a project-quality score, which is calculated based on various metrics automatically collected from GitHub and different package managers. If you like to add or update projects, feel free to open an [issue](https://github.com/deepmodeling/deepmodeling-projects/issues/new/choose), submit a [pull request](https://github.com/deepmodeling/deepmodeling-projects/pulls), or directly edit the [projects.yaml](https://github.com/deepmodeling/deepmodeling-projects/edit/main/projects.yaml). Contributions are very welcome!
This curated list contains 38 awesome open-source projects with a total of 3.5K stars grouped into 0 categories. All projects are ranked by a project-quality score, which is calculated based on various metrics automatically collected from GitHub and different package managers. If you like to add or update projects, feel free to open an [issue](https://github.com/deepmodeling/deepmodeling-projects/issues/new/choose), submit a [pull request](https://github.com/deepmodeling/deepmodeling-projects/pulls), or directly edit the [projects.yaml](https://github.com/deepmodeling/deepmodeling-projects/edit/main/projects.yaml). Contributions are very welcome!

> 🧙‍♂️ Discover other [best-of lists](https://best-of.org) or [create your own](https://github.com/best-of-lists/best-of/blob/main/create-best-of-list.md).

Expand Down Expand Up @@ -44,22 +44,22 @@ This curated list contains 38 awesome open-source projects with a total of 3.4K

<a href="#contents"><img align="right" width="15" height="15" src="https://git.io/JtehR" alt="Back to top"></a>

<details><summary><b><a href="https://github.com/deepmodeling/deepmd-kit">DeePMD-kit</a></b> (🥇26 · ⭐ 1.5K · 📉) - A deep learning package for many-body potential energy representation and molecular dynamics. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
<details><summary><b><a href="https://github.com/deepmodeling/deepmd-kit">DeePMD-kit</a></b> (🥇26 · ⭐ 1.5K) - A deep learning package for many-body potential energy representation and molecular dynamics. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>

- [GitHub](https://github.com/deepmodeling/deepmd-kit) (👨‍💻 69 · 🔀 490 · 📥 40K · 📦 16 · 📋 780 - 10% open · ⏱️ 17.09.2024):
- [GitHub](https://github.com/deepmodeling/deepmd-kit) (👨‍💻 69 · 🔀 490 · 📥 41K · 📦 17 · 📋 790 - 11% open · ⏱️ 17.09.2024):

```
git clone https://github.com/deepmodeling/deepmd-kit
```
- [PyPi](https://pypi.org/project/deepmd-kit) (📥 3.2K / month):
- [PyPi](https://pypi.org/project/deepmd-kit) (📥 7.4K / month):
```
pip install deepmd-kit
```
- [Conda](https://anaconda.org/conda-forge/deepmd-kit) (📥 1.1M · ⏱️ 25.09.2024):
```
conda install -c conda-forge deepmd-kit
```
- [npm](https://www.npmjs.com/package/deepmd-kit) (📥 13 / month):
- [npm](https://www.npmjs.com/package/deepmd-kit) (📥 10 / month):
```
npm install deepmd-kit
```
Expand All @@ -70,12 +70,12 @@ This curated list contains 38 awesome open-source projects with a total of 3.4K
</details>
<details><summary><b><a href="https://github.com/deepmodeling/abacus-develop">ABACUS</a></b> (🥇26 · ⭐ 170) - An electronic structure package based on either plane wave basis or numerical atomic orbitals. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>

- [GitHub](https://github.com/deepmodeling/abacus-develop) (👨‍💻 120 · 🔀 130 · 📋 1.9K - 11% open · ⏱️ 02.10.2024):
- [GitHub](https://github.com/deepmodeling/abacus-develop) (👨‍💻 120 · 🔀 130 · 📋 1.9K - 10% open · ⏱️ 10.10.2024):

```
git clone https://github.com/deepmodeling/abacus-develop
```
- [Conda](https://anaconda.org/conda-forge/abacus) (📥 190K · ⏱️ 30.09.2024):
- [Conda](https://anaconda.org/conda-forge/abacus) (📥 200K · ⏱️ 30.09.2024):
```
conda install -c conda-forge abacus
```
Expand All @@ -87,11 +87,11 @@ This curated list contains 38 awesome open-source projects with a total of 3.4K
```
git clone https://github.com/deepmodeling/dpdata
```
- [PyPi](https://pypi.org/project/dpdata) (📥 43K / month):
- [PyPi](https://pypi.org/project/dpdata) (📥 47K / month):
```
pip install dpdata
```
- [Conda](https://anaconda.org/conda-forge/dpdata) (📥 78K · ⏱️ 21.09.2024):
- [Conda](https://anaconda.org/conda-forge/dpdata) (📥 79K · ⏱️ 21.09.2024):
```
conda install -c conda-forge dpdata
```
Expand All @@ -100,30 +100,30 @@ This curated list contains 38 awesome open-source projects with a total of 3.4K
docker pull dptechnology/dpdata
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/dpgen">DP-GEN</a></b> (🥇22 · ⭐ 300 · 📉) - The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
<details><summary><b><a href="https://github.com/deepmodeling/dpgen">DP-GEN</a></b> (🥇22 · ⭐ 300) - The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>

- [GitHub](https://github.com/deepmodeling/dpgen) (👨‍💻 64 · 🔀 170 · 📥 1.8K · 📦 6 · 📋 300 - 11% open · ⏱️ 10.04.2024):
- [GitHub](https://github.com/deepmodeling/dpgen) (👨‍💻 64 · 🔀 170 · 📥 1.8K · 📦 7 · 📋 300 - 11% open · ⏱️ 10.04.2024):

```
git clone https://github.com/deepmodeling/dpgen
```
- [PyPi](https://pypi.org/project/dpgen) (📥 760 / month):
- [PyPi](https://pypi.org/project/dpgen) (📥 1.1K / month):
```
pip install dpgen
```
- [Conda](https://anaconda.org/conda-forge/dpgen) (📥 32K · ⏱️ 10.04.2024):
- [Conda](https://anaconda.org/conda-forge/dpgen) (📥 33K · ⏱️ 10.04.2024):
```
conda install -c conda-forge dpgen
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/dpdispatcher">dpdispatcher</a></b> (🥇22 · ⭐ 42) - generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>

- [GitHub](https://github.com/deepmodeling/dpdispatcher) (👨‍💻 47 · 🔀 54 · 📦 50 · 📋 77 - 20% open · ⏱️ 01.10.2024):
- [GitHub](https://github.com/deepmodeling/dpdispatcher) (👨‍💻 47 · 🔀 54 · 📦 51 · 📋 77 - 20% open · ⏱️ 06.10.2024):

```
git clone https://github.com/deepmodeling/dpdispatcher
```
- [PyPi](https://pypi.org/project/dpdispatcher) (📥 3K / month):
- [PyPi](https://pypi.org/project/dpdispatcher) (📥 4.5K / month):
```
pip install dpdispatcher
```
Expand All @@ -136,18 +136,18 @@ This curated list contains 38 awesome open-source projects with a total of 3.4K
docker pull dptechnology/dpdispatcher
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/reacnetgenerator">reacnetgenerator</a></b> (🥈20 · ⭐ 65) - an automatic reaction network generator for reactive molecular dynamics simulation. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
<details><summary><b><a href="https://github.com/deepmodeling/reacnetgenerator">reacnetgenerator</a></b> (🥈21 · ⭐ 65 · 📈) - an automatic reaction network generator for reactive molecular dynamics simulation. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>

- [GitHub](https://github.com/deepmodeling/reacnetgenerator) (👨‍💻 18 · 🔀 37 · 📦 2 · 📋 120 - 4% open · ⏱️ 03.10.2024):
- [GitHub](https://github.com/deepmodeling/reacnetgenerator) (👨‍💻 18 · 🔀 38 · 📦 3 · 📋 120 - 4% open · ⏱️ 05.10.2024):

```
git clone https://github.com/deepmodeling/reacnetgenerator
```
- [PyPi](https://pypi.org/project/reacnetgenerator) (📥 4.1K / month):
- [PyPi](https://pypi.org/project/reacnetgenerator) (📥 7.1K / month):
```
pip install reacnetgenerator
```
- [Conda](https://anaconda.org/conda-forge/reacnetgenerator) (📥 420K · ⏱️ 10.05.2024):
- [Conda](https://anaconda.org/conda-forge/reacnetgenerator) (📥 420K · ⏱️ 04.10.2024):
```
conda install -c conda-forge reacnetgenerator
```
Expand Down Expand Up @@ -183,7 +183,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.4K
```
pip install dargs
```
- [Conda](https://anaconda.org/conda-forge/dargs) (📥 31K · ⏱️ 15.07.2024):
- [Conda](https://anaconda.org/conda-forge/dargs) (📥 32K · ⏱️ 15.07.2024):
```
conda install -c conda-forge dargs
```
Expand All @@ -198,54 +198,54 @@ This curated list contains 38 awesome open-source projects with a total of 3.4K
</details>
<details><summary><b><a href="https://github.com/deepmodeling/dpgen2">DPGEN2</a></b> (🥈17 · ⭐ 33) - 2nd generation of the Deep Potential GENerator. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>

- [GitHub](https://github.com/deepmodeling/dpgen2) (👨‍💻 14 · 🔀 24 · 📦 4 · 📋 32 - 28% open · ⏱️ 02.10.2024):
- [GitHub](https://github.com/deepmodeling/dpgen2) (👨‍💻 14 · 🔀 24 · 📦 5 · 📋 32 - 28% open · ⏱️ 06.10.2024):

```
git clone https://github.com/deepmodeling/dpgen2
```
- [PyPi](https://pypi.org/project/dpgen2) (📥 220 / month):
- [PyPi](https://pypi.org/project/dpgen2) (📥 380 / month):
```
pip install dpgen2
```
- [Docker Hub](https://hub.docker.com/r/dptechnology/dpgen2) (📥 3.6K · ⏱️ 02.10.2024):
- [Docker Hub](https://hub.docker.com/r/dptechnology/dpgen2) (📥 3.6K · ⏱️ 06.10.2024):
```
docker pull dptechnology/dpgen2
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/DeePTB">DeePTB</a></b> (🥈16 · ⭐ 47) - DeePTB: A deep learning package for tight-binding approach with ab initio accuracy. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
<details><summary><b><a href="https://github.com/deepmodeling/DeePTB">DeePTB</a></b> (🥈16 · ⭐ 49) - DeePTB: A deep learning package for tight-binding approach with ab initio accuracy. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>

- [GitHub](https://github.com/deepmodeling/DeePTB) (👨‍💻 10 · 🔀 15 · 📦 1 · 📋 36 - 22% open · ⏱️ 19.09.2024):
- [GitHub](https://github.com/deepmodeling/DeePTB) (👨‍💻 10 · 🔀 15 · 📦 2 · 📋 36 - 22% open · ⏱️ 03.10.2024):

```
git clone https://github.com/deepmodeling/DeePTB
```
- [PyPi](https://pypi.org/project/dptb) (📥 240 / month):
- [PyPi](https://pypi.org/project/dptb) (📥 350 / month):
```
pip install dptb
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/APEX">APEX</a></b> (🥈15 · ⭐ 22) - APEX: Alloy Properties EXplorer using simulations. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
<details><summary><b><a href="https://github.com/deepmodeling/jax-fem">JAX-FEM</a></b> (🥈15 · ⭐ 260 · 📈) - Differentiable Finite Element Method with JAX. <code><a href="http://bit.ly/2M0xdwT">GPL-3.0</a></code></summary>

- [GitHub](https://github.com/deepmodeling/APEX) (👨‍💻 6 · 🔀 16 · 📦 1 · ⏱️ 27.08.2024):
- [GitHub](https://github.com/deepmodeling/jax-fem) (👨‍💻 8 · 🔀 39 · 📦 3 · 📋 32 - 62% open · ⏱️ 09.10.2024):

```
git clone https://github.com/deepmodeling/APEX
git clone https://github.com/deepmodeling/jax-fem
```
- [PyPi](https://pypi.org/project/apex-flow) (📥 870 / month):
- [PyPi](https://pypi.org/project/jax-fem) (📥 420 / month):
```
pip install apex-flow
pip install jax-fem
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/jax-fem">JAX-FEM</a></b> (🥈14 · ⭐ 250) - Differentiable Finite Element Method with JAX. <code><a href="http://bit.ly/2M0xdwT">GPL-3.0</a></code></summary>
<details><summary><b><a href="https://github.com/deepmodeling/APEX">APEX</a></b> (🥈15 · ⭐ 23) - APEX: Alloy Properties EXplorer using simulations. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>

- [GitHub](https://github.com/deepmodeling/jax-fem) (👨‍💻 8 · 🔀 40 · 📦 2 · 📋 32 - 62% open · ⏱️ 26.09.2024):
- [GitHub](https://github.com/deepmodeling/APEX) (👨‍💻 6 · 🔀 16 · 📦 2 · 📋 8 - 12% open · ⏱️ 27.08.2024):

```
git clone https://github.com/deepmodeling/jax-fem
git clone https://github.com/deepmodeling/APEX
```
- [PyPi](https://pypi.org/project/jax-fem) (📥 310 / month):
- [PyPi](https://pypi.org/project/apex-flow) (📥 2.3K / month):
```
pip install jax-fem
pip install apex-flow
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/DMFF">DMFF</a></b> (🥈14 · ⭐ 150 · 💤) - DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable.. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
Expand All @@ -255,55 +255,55 @@ This curated list contains 38 awesome open-source projects with a total of 3.4K
```
git clone https://github.com/deepmodeling/DMFF
```
- [Conda](https://anaconda.org/conda-forge/dmff) (📥 980 · ⏱️ 06.01.2024):
- [Conda](https://anaconda.org/conda-forge/dmff) (📥 1K · ⏱️ 06.01.2024):
```
conda install -c conda-forge dmff
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/rid-kit">rid-kit</a></b> (🥈14 · ⭐ 44) - Reinforced dynamics. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>

- [GitHub](https://github.com/deepmodeling/rid-kit) (👨‍💻 14 · 🔀 22 · 📥 140 · 📦 1 · 📋 4 - 25% open · ⏱️ 27.06.2024):
- [GitHub](https://github.com/deepmodeling/rid-kit) (👨‍💻 14 · 🔀 22 · 📥 140 · 📦 2 · 📋 4 - 25% open · ⏱️ 27.06.2024):

```
git clone https://github.com/deepmodeling/rid-kit
```
- [PyPi](https://pypi.org/project/rid-kit) (📥 180 / month):
- [PyPi](https://pypi.org/project/rid-kit) (📥 450 / month):
```
pip install rid-kit
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/dpgui">DP-GUI</a></b> (🥉13 · ⭐ 7) - A web-based GUI for user inputs. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>

- [GitHub](https://github.com/deepmodeling/dpgui) (👨‍💻 4 · 🔀 5 · 📦 8 · ⏱️ 11.09.2024):
- [GitHub](https://github.com/deepmodeling/dpgui) (👨‍💻 4 · 🔀 5 · 📦 9 · ⏱️ 11.09.2024):

```
git clone https://github.com/deepmodeling/dpgui
```
- [PyPi](https://pypi.org/project/dpgui) (📥 18K / month):
- [PyPi](https://pypi.org/project/dpgui) (📥 20K / month):
```
pip install dpgui
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/deepmodeling_sphinx">deepmodeling_sphinx</a></b> (🥉12 · ⭐ 2) - Sphinx extension for DeepModeling projects. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
<details><summary><b><a href="https://github.com/deepmodeling/deepmodeling_sphinx">deepmodeling_sphinx</a></b> (🥉13 · ⭐ 3 · 📈) - Sphinx extension for DeepModeling projects. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>

- [GitHub](https://github.com/deepmodeling/deepmodeling_sphinx) (👨‍💻 7 · 🔀 6 · ⏱️ 11.09.2024):
- [GitHub](https://github.com/deepmodeling/deepmodeling_sphinx) (👨‍💻 7 · 🔀 7 · ⏱️ 11.09.2024):

```
git clone https://github.com/deepmodeling/deepmodeling_sphinx
```
- [PyPi](https://pypi.org/project/deepmodeling_sphinx) (📥 2.2K / month):
- [PyPi](https://pypi.org/project/deepmodeling_sphinx) (📥 2.9K / month):
```
pip install deepmodeling_sphinx
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/dpti">dpti</a></b> (🥉11 · ⭐ 21) - A Python Package to Automate Thermodynamic Integration Calculations for Free Energy. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
<details><summary><b><a href="https://github.com/deepmodeling/dpti">dpti</a></b> (🥉12 · ⭐ 21 · 📈) - A Python Package to Automate Thermodynamic Integration Calculations for Free Energy. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>

- [GitHub](https://github.com/deepmodeling/dpti) (👨‍💻 19 · 🔀 19 · 📦 1 · ⏱️ 14.08.2024):
- [GitHub](https://github.com/deepmodeling/dpti) (👨‍💻 19 · 🔀 19 · 📦 2 · ⏱️ 14.08.2024):

```
git clone https://github.com/deepmodeling/dpti
```
- [PyPi](https://pypi.org/project/dpti) (📥 140 / month):
- [PyPi](https://pypi.org/project/dpti) (📥 220 / month):
```
pip install dpti
```
Expand All @@ -318,7 +318,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.4K
</details>
<details><summary><b><a href="https://github.com/deepmodeling/GPUMD">GPUMD</a></b> (🥉10 · ⭐ 3 · 🐣) - Graphics Processing Units Molecular Dynamics. <code><a href="http://bit.ly/2M0xdwT">GPL-3.0</a></code></summary>

- [GitHub](https://github.com/deepmodeling/GPUMD) (👨‍💻 34 · ⏱️ 03.09.2024):
- [GitHub](https://github.com/deepmodeling/GPUMD) (👨‍💻 34 · ⏱️ 03.10.2024):

```
git clone https://github.com/deepmodeling/GPUMD
Expand All @@ -339,26 +339,26 @@ This curated list contains 38 awesome open-source projects with a total of 3.4K
```
git clone https://github.com/deepmodeling/fealpy
```
- [PyPi](https://pypi.org/project/fealpy) (📥 200 / month):
- [PyPi](https://pypi.org/project/fealpy) (📥 390 / month):
```
pip install fealpy
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/args">args</a></b> (🥉8 · ⭐ 2 · 📉) - DeepModeling dargs arguments generation. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
<details><summary><b><a href="https://github.com/deepmodeling/args">args</a></b> (🥉8 · ⭐ 2) - DeepModeling dargs arguments generation. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>

- [GitHub](https://github.com/deepmodeling/args) (👨‍💻 3 · 🔀 2 · 📦 5 · ⏱️ 02.09.2024):

```
git clone https://github.com/deepmodeling/args
```
- [npm](https://www.npmjs.com/package/@deepmodeling/args) (📥 77 / month):
- [npm](https://www.npmjs.com/package/@deepmodeling/args) (📥 71 / month):
```
npm install @deepmodeling/args
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/fpop">fpop</a></b> (🥉8 · ⭐ 2) - <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>

- [GitHub](https://github.com/deepmodeling/fpop) (👨‍💻 4 · 🔀 11 · 📦 8 · ⏱️ 01.07.2024):
- [GitHub](https://github.com/deepmodeling/fpop) (👨‍💻 4 · 🔀 11 · 📦 9 · ⏱️ 01.07.2024):

```
git clone https://github.com/deepmodeling/fpop
Expand Down Expand Up @@ -396,7 +396,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.4K
git clone https://github.com/deepmodeling/tutorials
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/AIS-Square">AIS-Square</a></b> (🥉6 · ⭐ 10 · 💤) - <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
<details><summary><b><a href="https://github.com/deepmodeling/AIS-Square">AIS-Square</a></b> (🥉6 · ⭐ 12 · 💤) - <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>

- [GitHub](https://github.com/deepmodeling/AIS-Square) (👨‍💻 8 · 🔀 8 · 📋 6 - 83% open · ⏱️ 06.12.2023):

Expand Down
Loading