Alternatives and similar repositories for deepchem

Users that are interested in deepchem are comparing it to the libraries listed below

• chemprop / chemprop
  Message Passing Neural Networks for Molecule Property Prediction
  ☆2,086Updated 3 weeks ago
• rdkit / rdkit
  The official sources for the RDKit library
  ☆3,065Updated this week
• lmmentel / awesome-python-chemistry
  A curated list of Python packages related to chemistry
  ☆1,274Updated 11 months ago
• facebookresearch / fairchem
  FAIR Chemistry's library of machine learning methods for chemistry
  ☆1,709Updated this week
• molecularsets / moses
  Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
  ☆921Updated last year
• chainer / chainer-chemistry
  Chainer Chemistry: A Library for Deep Learning in Biology and Chemistry
  ☆676Updated 2 years ago
• DeepGraphLearning / torchdrug
  A powerful and flexible machine learning platform for drug discovery
  ☆1,534Updated last year
• Mariewelt / OpenChem
  OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research
  ☆722Updated last year
• a-r-j / graphein
  Protein Graph Library
  ☆1,127Updated 3 weeks ago
• PatWalters / practical_cheminformatics_tutorials
  Practical Cheminformatics Tutorials
  ☆1,074Updated last week
• volkamerlab / teachopencadd
  TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data
  ☆909Updated last week
• kexinhuang12345 / DeepPurpose
  A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)
  ☆1,080Updated last year
• aspuru-guzik-group / selfies
  Robust representation of semantically constrained graphs, in particular for molecules in chemistry
  ☆791Updated 4 months ago
• awslabs / dgl-lifesci
  Python package for graph neural networks in chemistry and biology
  ☆769Updated last year
• aqlaboratory / proteinnet
  Standardized data set for machine learning of protein structure
  ☆902Updated 4 years ago
• mims-harvard / TDC
  Therapeutics Commons (TDC): Multimodal Foundation for Therapeutic Science
  ☆1,148Updated 2 months ago
• MDAnalysis / mdanalysis
  MDAnalysis is a Python library to analyze molecular dynamics simulations.
  ☆1,457Updated 2 weeks ago
• openbabel / openbabel
  Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
  ☆1,223Updated 6 months ago
• atomistic-machine-learning / schnetpack
  SchNetPack - Deep Neural Networks for Atomistic Systems
  ☆869Updated last week
• yangkky / Machine-learning-for-proteins
  Listing of papers about machine learning for proteins.
  ☆1,661Updated last year
• HIPS / neural-fingerprint
  Convolutional nets which can take molecular graphs of arbitrary size as input.
  ☆496Updated 7 years ago
• insilicomedicine / GENTRL
  Generative Tensorial Reinforcement Learning (GENTRL) model
  ☆623Updated last year
• gcorso / DiffDock
  Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
  ☆1,315Updated 4 months ago
• whitead / dmol-book
  Deep learning for molecules and materials book
  ☆670Updated 3 weeks ago
• hsiaoyi0504 / awesome-cheminformatics
  A curated list of Cheminformatics libraries and software.
  ☆770Updated last year
• BioPandas / biopandas
  Working with molecular structures in pandas DataFrames
  ☆738Updated last year
• aspuru-guzik-group / chemical_vae
  Code for 10.1021/acscentsci.7b00572, now running on Keras 2.0 and Tensorflow
  ☆528Updated 2 years ago
• AspirinCode / papers-for-molecular-design-using-DL
  List of Molecular and Material design using Generative AI and Deep Learning
  ☆859Updated this week
• gnina / gnina
  A deep learning framework for molecular docking
  ☆768Updated last month
• openmm / openmm
  OpenMM is a toolkit for molecular simulation using high performance GPU code.
  ☆1,671Updated this week