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Best-of update: 2024.09.19 #61

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88 changes: 44 additions & 44 deletions README.md
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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> (🥇28 · ⭐ 1.4K) - 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> (🥇28 · ⭐ 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 · 🔀 480 · 📥 39K · 📦 16 · 📋 760 - 10% open · ⏱️ 06.07.2024):
- [GitHub](https://github.com/deepmodeling/deepmd-kit) (👨‍💻 69 · 🔀 480 · 📥 40K · 📦 16 · 📋 770 - 11% open · ⏱️ 17.09.2024):

```
git clone https://github.com/deepmodeling/deepmd-kit
```
- [PyPi](https://pypi.org/project/deepmd-kit) (📥 2.1K / month):
- [PyPi](https://pypi.org/project/deepmd-kit) (📥 2.6K / month):
```
pip install deepmd-kit
```
- [Conda](https://anaconda.org/conda-forge/deepmd-kit) (📥 1M · ⏱️ 27.07.2024):
```
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) (📥 11 / month):
```
npm install deepmd-kit
```
Expand All @@ -70,32 +70,32 @@ 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 · ⭐ 160) - 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 · 📋 1.8K - 11% open · ⏱️ 11.09.2024):
- [GitHub](https://github.com/deepmodeling/abacus-develop) (👨‍💻 120 · 🔀 130 · 📋 1.9K - 11% open · ⏱️ 19.09.2024):

```
git clone https://github.com/deepmodeling/abacus-develop
```
- [Conda](https://anaconda.org/conda-forge/abacus) (📥 170K · ⏱️ 26.08.2024):
- [Conda](https://anaconda.org/conda-forge/abacus) (📥 180K · ⏱️ 26.08.2024):
```
conda install -c conda-forge abacus
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/dpdata">dpdata</a></b> (🥇24 · ⭐ 200) - A Python package for manipulating atomistic data of software in computational science. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>

- [GitHub](https://github.com/deepmodeling/dpdata) (👨‍💻 60 · 🔀 120 · 📦 120 · 📋 99 - 18% open · ⏱️ 03.09.2024):
- [GitHub](https://github.com/deepmodeling/dpdata) (👨‍💻 60 · 🔀 120 · 📦 120 · 📋 100 - 19% open · ⏱️ 03.09.2024):

```
git clone https://github.com/deepmodeling/dpdata
```
- [PyPi](https://pypi.org/project/dpdata) (📥 37K / month):
- [PyPi](https://pypi.org/project/dpdata) (📥 39K / month):
```
pip install dpdata
```
- [Conda](https://anaconda.org/conda-forge/dpdata) (📥 77K · ⏱️ 03.09.2024):
```
conda install -c conda-forge dpdata
```
- [Docker Hub](https://hub.docker.com/r/dptechnology/dpdata) (📥 630 · ⏱️ 02.06.2023):
- [Docker Hub](https://hub.docker.com/r/dptechnology/dpdata) (📥 640 · ⏱️ 02.06.2023):
```
docker pull dptechnology/dpdata
```
Expand Down Expand Up @@ -123,7 +123,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.4K
```
git clone https://github.com/deepmodeling/dpdispatcher
```
- [PyPi](https://pypi.org/project/dpdispatcher) (📥 2.6K / month):
- [PyPi](https://pypi.org/project/dpdispatcher) (📥 2.5K / month):
```
pip install dpdispatcher
```
Expand All @@ -136,25 +136,25 @@ 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> (🥈19 · ⭐ 64 · 📉) - 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> (🥈20 · ⭐ 64 · 📈) - 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 · ⏱️ 09.08.2024):
- [GitHub](https://github.com/deepmodeling/reacnetgenerator) (👨‍💻 18 · 🔀 37 · 📦 2 · 📋 120 - 4% open · ⏱️ 16.09.2024):

```
git clone https://github.com/deepmodeling/reacnetgenerator
```
- [PyPi](https://pypi.org/project/reacnetgenerator) (📥 2.8K / month):
- [PyPi](https://pypi.org/project/reacnetgenerator) (📥 3.9K / month):
```
pip install reacnetgenerator
```
- [Conda](https://anaconda.org/conda-forge/reacnetgenerator) (📥 400K · ⏱️ 10.05.2024):
- [Conda](https://anaconda.org/conda-forge/reacnetgenerator) (📥 410K · ⏱️ 10.05.2024):
```
conda install -c conda-forge reacnetgenerator
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/dflow">dflow</a></b> (🥈19 · ⭐ 62) - Dflow is a Python framework for constructing scientific computing workflows (e.g. concurrent learning workflows).. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>

- [GitHub](https://github.com/deepmodeling/dflow) (👨‍💻 22 · 🔀 25 · 📋 35 - 40% open · ⏱️ 11.09.2024):
- [GitHub](https://github.com/deepmodeling/dflow) (👨‍💻 22 · 🔀 25 · 📋 35 - 40% open · ⏱️ 14.09.2024):

```
git clone https://github.com/deepmodeling/dflow
Expand All @@ -167,7 +167,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.4K
```
conda install -c conda-forge dflow
```
- [Docker Hub](https://hub.docker.com/r/dptechnology/dflow) (📥 7.7K · ⏱️ 11.09.2024):
- [Docker Hub](https://hub.docker.com/r/dptechnology/dflow) (📥 7.8K · ⏱️ 14.09.2024):
```
docker pull dptechnology/dflow
```
Expand All @@ -179,11 +179,11 @@ This curated list contains 38 awesome open-source projects with a total of 3.4K
```
git clone https://github.com/deepmodeling/dargs
```
- [PyPi](https://pypi.org/project/dargs) (📥 61K / month):
- [PyPi](https://pypi.org/project/dargs) (📥 64K / month):
```
pip install dargs
```
- [Conda](https://anaconda.org/conda-forge/dargs) (📥 30K · ⏱️ 15.07.2024):
- [Conda](https://anaconda.org/conda-forge/dargs) (📥 31K · ⏱️ 15.07.2024):
```
conda install -c conda-forge dargs
```
Expand All @@ -207,24 +207,24 @@ This curated list contains 38 awesome open-source projects with a total of 3.4K
```
pip install dpgen2
```
- [Docker Hub](https://hub.docker.com/r/dptechnology/dpgen2) (📥 3.5K · ⏱️ 12.09.2024):
- [Docker Hub](https://hub.docker.com/r/dptechnology/dpgen2) (📥 3.6K · ⏱️ 12.09.2024):
```
docker pull dptechnology/dpgen2
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/DeePTB">DeePTB</a></b> (🥈16 · ⭐ 46) - 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 · 📋 35 - 20% open · ⏱️ 27.08.2024):
- [GitHub](https://github.com/deepmodeling/DeePTB) (👨‍💻 10 · 🔀 15 · 📦 1 · 📋 35 - 20% open · ⏱️ 19.09.2024):

```
git clone https://github.com/deepmodeling/DeePTB
```
- [PyPi](https://pypi.org/project/dptb) (📥 320 / month):
- [PyPi](https://pypi.org/project/dptb) (📥 190 / month):
```
pip install dptb
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/APEX">APEX</a></b> (🥈15 · ⭐ 21 · 📈) - 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/APEX">APEX</a></b> (🥈15 · ⭐ 21) - APEX: Alloy Properties EXplorer using simulations. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>

- [GitHub](https://github.com/deepmodeling/APEX) (👨‍💻 6 · 🔀 16 · 📦 1 · ⏱️ 27.08.2024):

Expand All @@ -243,14 +243,14 @@ 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) (📥 900 · ⏱️ 06.01.2024):
- [Conda](https://anaconda.org/conda-forge/dmff) (📥 930 · ⏱️ 06.01.2024):
```
conda install -c conda-forge dmff
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/jax-fem">JAX-FEM</a></b> (🥈13 · ⭐ 230) - 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/jax-fem">JAX-FEM</a></b> (🥈13 · ⭐ 240) - Differentiable Finite Element Method with JAX. <code><a href="http://bit.ly/2M0xdwT">GPL-3.0</a></code></summary>

- [GitHub](https://github.com/deepmodeling/jax-fem) (👨‍💻 7 · 🔀 35 · 📦 2 · 📋 29 - 65% open · ⏱️ 04.09.2024):
- [GitHub](https://github.com/deepmodeling/jax-fem) (👨‍💻 8 · 🔀 38 · 📦 2 · 📋 30 - 66% open · ⏱️ 18.09.2024):

```
git clone https://github.com/deepmodeling/jax-fem
Expand All @@ -260,19 +260,19 @@ This curated list contains 38 awesome open-source projects with a total of 3.4K
pip install jax-fem
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/rid-kit">rid-kit</a></b> (🥈13 · ⭐ 44 · 📈) - Reinforced dynamics. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
<details><summary><b><a href="https://github.com/deepmodeling/rid-kit">rid-kit</a></b> (🥈13 · ⭐ 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):

```
git clone https://github.com/deepmodeling/rid-kit
```
- [PyPi](https://pypi.org/project/rid-kit) (📥 160 / month):
- [PyPi](https://pypi.org/project/rid-kit) (📥 180 / 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>
<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):

Expand All @@ -291,47 +291,47 @@ This curated list contains 38 awesome open-source projects with a total of 3.4K
```
git clone https://github.com/deepmodeling/deepmodeling_sphinx
```
- [PyPi](https://pypi.org/project/deepmodeling_sphinx) (📥 1.9K / month):
- [PyPi](https://pypi.org/project/deepmodeling_sphinx) (📥 2K / month):
```
pip install deepmodeling_sphinx
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/GPUMD">GPUMD</a></b> (🥉11 · ⭐ 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):

```
git clone https://github.com/deepmodeling/GPUMD
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/deepks-kit">DeePKS-kit</a></b> (🥉10 · ⭐ 96) - a package for developing machine learning-based chemically accurate energy and density functional models. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
<details><summary><b><a href="https://github.com/deepmodeling/deepks-kit">DeePKS-kit</a></b> (🥉10 · ⭐ 98) - a package for developing machine learning-based chemically accurate energy and density functional models. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>

- [GitHub](https://github.com/deepmodeling/deepks-kit) (👨‍💻 7 · 🔀 35 · 📋 19 - 26% open · ⏱️ 13.04.2024):

```
git clone https://github.com/deepmodeling/deepks-kit
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/dpti">dpti</a></b> (🥉10 · ⭐ 19) - 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> (🥉10 · ⭐ 20) - 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 · 🔀 20 · 📦 1 · ⏱️ 14.08.2024):

```
git clone https://github.com/deepmodeling/dpti
```
- [PyPi](https://pypi.org/project/dpti) (📥 71 / month):
- [PyPi](https://pypi.org/project/dpti) (📥 78 / month):
```
pip install dpti
```
</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):

```
git clone https://github.com/deepmodeling/GPUMD
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/args">args</a></b> (🥉9 · ⭐ 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) (📥 62 / month):
- [npm](https://www.npmjs.com/package/@deepmodeling/args) (📥 78 / month):
```
npm install @deepmodeling/args
```
Expand All @@ -343,7 +343,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.4K
```
git clone https://github.com/deepmodeling/fpop
```
- [PyPi](https://pypi.org/project/fpop) (📥 2.5K / month):
- [PyPi](https://pypi.org/project/fpop) (📥 2.2K / month):
```
pip install fpop
```
Expand All @@ -363,7 +363,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.4K
```
git clone https://github.com/deepmodeling/Uni-Fold
```
- [Docker Hub](https://hub.docker.com/r/dptechnology/unifold) (📥 710 · ⏱️ 08.01.2024):
- [Docker Hub](https://hub.docker.com/r/dptechnology/unifold) (📥 720 · ⏱️ 08.01.2024):
```
docker pull dptechnology/unifold
```
Expand All @@ -375,7 +375,7 @@ 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) (📥 110 / month):
- [PyPi](https://pypi.org/project/fealpy) (📥 130 / month):
```
pip install fealpy
```
Expand Down
12 changes: 12 additions & 0 deletions history/2024-09-19_changes.md
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## 📈 Trending Up

_Projects that have a higher project-quality score compared to the last update. There might be a variety of reasons, such as increased downloads or code activity._

- <b><a href="https://github.com/deepmodeling/reacnetgenerator">reacnetgenerator</a></b> (🥈20 · ⭐ 64 · 📈) - an automatic reaction network generator for reactive molecular dynamics simulation. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code>

## 📉 Trending Down

_Projects that have a lower project-quality score compared to the last update. There might be a variety of reasons such as decreased downloads or code activity._

- <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>

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