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    19 repositories

    • deepchem

      Public
      Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
      deep-learningbiologydrug-discovery
      deep-learningbiologydrug-discoveryquantum-chemistrymaterials-sciencehacktoberfest
      Python
      •
      MIT License
      •2.2k•6.7k•503•582•Updated Mar 2, 2026Mar 2, 2026

    • deepchem.github.io

      Public
      The DeepChem Website
      HTML
      •
      Apache License 2.0
      •18•4•2•5•Updated Jan 17, 2025Jan 17, 2025

    • deepchem-gui

      Public
      A simple web GUI for DeepChem
      JavaScript
      •
      MIT License
      •19•64•8•0•Updated Nov 27, 2023Nov 27, 2023

    • torchchem

      Public
      An experimental repo for experimenting with PyTorch models
      Python
      •
      MIT License
      •14•38•2•3•Updated Mar 24, 2023Mar 24, 2023

    • deepbio

      Public
      Deep Learning tools For Biology
      MIT License
      •0•10•2•0•Updated Apr 18, 2022Apr 18, 2022

    • DeepLearningLifeSciences

      Public
      Example code from the book "Deep Learning for the Life Sciences"
      Jupyter Notebook
      •
      MIT License
      •157•404•11•2•Updated Sep 17, 2021Sep 17, 2021

    • moleculenet

      Public
      Moleculenet.ai Datasets And Splits
      Jupyter Notebook
      •
      MIT License
      •22•106•23•1•Updated Apr 29, 2021Apr 29, 2021

    • old.deepchem.github.io

      Public archive
      Build a Jekyll blog in minutes, without touching the command line.
      SCSS
      •35k•1•0•1•Updated Apr 21, 2021Apr 21, 2021

    • deepchem.io

      Public archive
      Website for deepchem
      CSS
      •11•6•1•0•Updated Apr 19, 2021Apr 19, 2021

    • jaxchem

      Public
      JAXChem is a JAX-based deep learning library for complex and versatile chemical modeling
      Python
      •10•82•1•0•Updated Jul 15, 2020Jul 15, 2020

    • diffstruct

      Public
      Experimenting with differentiation
      Haskell
      •0•2•0•0•Updated Jun 2, 2020Jun 2, 2020

    • deepdock

      Public
      An experimental package for deep learning for molecular docking
      Python
      •
      MIT License
      •8•21•1•1•Updated Mar 21, 2020Mar 21, 2020

    • openstone

      Public archive
      An experimental package for open source algorithms for computational modeling and analysis of protein structures.
      1•4•1•0•Updated Mar 21, 2020Mar 21, 2020

    • simdna

      Public
      Simulated datasets of DNA
      Python
      •
      MIT License
      •22•3•0•0•Updated Jan 5, 2018Jan 5, 2018

    • deephuman

      Public
      Deep Learning powered models of humans for virtual clinical trials.
      2•7•4•0•Updated Jul 19, 2017Jul 19, 2017

    • deepanimal

      Public
      Deep Learning for Animal Models of Disease
      2•3•2•0•Updated Jul 19, 2017Jul 19, 2017

    • deepsystems

      Public
      Deep Learning Powered Systems Biology Tools
      1•2•1•0•Updated Jul 18, 2017Jul 18, 2017

    • deepgene

      Public
      Deep Learning Tools for Working with Genomic Datasets for Drug Discovery
      5•10•5•0•Updated Jul 15, 2017Jul 15, 2017

    • deepbiologic

      Public
      Deep Learning Tools for Design of Biologic Therapeutics
      Python
      •
      MIT License
      •6•16•6•0•Updated Jul 15, 2017Jul 15, 2017
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