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  1. mt-dti mt-dti Public

    An official Molecule Transformer Drug Target Interaction (MT-DTI) model

    Python 35 20

  2. MT-ENet MT-ENet Public

    Repository for "Improving evidential deep learning via multi-task learning," published in AAAI2022

    Python 17 1

  3. cmg cmg Public

    Controlled Molecule Generator for for Optimizing Multiple Chemical Properties

    Python 7 4

  4. DearWXpub DearWXpub Public

    a neural network-based feature selection algorithm for next-generation sequencing data

    R 6 5

  5. react-clustergrammer react-clustergrammer Public

    React component for clustergrammer

    JavaScript 6 6

  6. Pocket2Mol_RL_public Pocket2Mol_RL_public Public

    Public repository of the paper <Fine-tuning Pocket-conditioned 3D Molecule Generation via Reinforcment Learning>

    Python 3 2

Repositories

Showing 10 of 30 repositories
  • rust-graph Public

    Graph algorithm implementations in Rust available as a Python package

    deargen/rust-graph’s past year of commit activity
    Python 3 Apache-2.0 0 0 0 Updated Jul 2, 2024
  • workflows Public

    Reusable workflows

    deargen/workflows’s past year of commit activity
    Shell 0 0 0 0 Updated Jul 2, 2024
  • reduce-binary Public

    Automatically compile and release "reduce".

    deargen/reduce-binary’s past year of commit activity
    Dockerfile 0 0 0 0 Updated Jun 27, 2024
  • pdb2pqr Public Forked from Electrostatics/pdb2pqr

    PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.

    deargen/pdb2pqr’s past year of commit activity
    Python 0 34 0 0 Updated Jun 17, 2024
  • Pocket2Mol_RL_public Public

    Public repository of the paper <Fine-tuning Pocket-conditioned 3D Molecule Generation via Reinforcment Learning>

    deargen/Pocket2Mol_RL_public’s past year of commit activity
    Python 3 2 0 0 Updated Apr 16, 2024
  • seldon-core Public Forked from SeldonIO/seldon-core

    Seldon-core v2 for local docker deployment

    deargen/seldon-core’s past year of commit activity
    Go 0 831 0 0 Updated Mar 5, 2024
  • 3D-Generative-SBDD Public Forked from luost26/3D-Generative-SBDD

    💊 A 3D Generative Model for Structure-Based Drug Design (NeurIPS 2021)

    deargen/3D-Generative-SBDD’s past year of commit activity
    Python 0 MIT 40 0 0 Updated Feb 1, 2024
  • gypsum_dl Public Forked from durrantlab/gypsum_dl

    Gypsum-DL is a free, open-source program that converts 1D and 2D small-molecule representations (SMILES strings or flat SDF files) into 3D models. It outputs models with alternate ionization, tautomeric, chiral, cis/trans isomeric, and ring-conformational states.

    deargen/gypsum_dl’s past year of commit activity
    Python 0 Apache-2.0 11 0 0 Updated Dec 15, 2023
  • 3Dmol.js Public Forked from 3dmol/3Dmol.js

    WebGL accelerated JavaScript molecular graphics library

    deargen/3Dmol.js’s past year of commit activity
    Jupyter Notebook 0 193 0 0 Updated Sep 13, 2023
  • molskill Public Forked from microsoft/molskill

    Learning chemical intuition from humans in the loop. Supporting code.

    deargen/molskill’s past year of commit activity
    Python 0 MIT 9 0 0 Updated Sep 6, 2023

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