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
  ☆2,168Updated last week
• rdkit / rdkit
  The official sources for the RDKit library
  ☆3,150Updated this week
• molecularsets / moses
  Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
  ☆936Updated last year
• Mariewelt / OpenChem
  OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research
  ☆727Updated last year
• chainer / chainer-chemistry
  Chainer Chemistry: A Library for Deep Learning in Biology and Chemistry
  ☆675Updated 2 years ago
• PatWalters / practical_cheminformatics_tutorials
  Practical Cheminformatics Tutorials
  ☆1,110Updated 3 weeks ago
• lmmentel / awesome-python-chemistry
  A curated list of Python packages related to chemistry
  ☆1,314Updated last month
• DeepGraphLearning / torchdrug
  A powerful and flexible machine learning platform for drug discovery
  ☆1,548Updated last year
• MDAnalysis / mdanalysis
  MDAnalysis is a Python library to analyze molecular dynamics simulations.
  ☆1,488Updated this week
• openbabel / openbabel
  Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
  ☆1,244Updated 8 months ago
• volkamerlab / teachopencadd
  TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data
  ☆926Updated this week
• awslabs / dgl-lifesci
  Python package for graph neural networks in chemistry and biology
  ☆781Updated 2 years ago
• aspuru-guzik-group / selfies
  Robust representation of semantically constrained graphs, in particular for molecules in chemistry
  ☆804Updated 6 months ago
• mims-harvard / TDC
  Therapeutics Commons (TDC): Multimodal Foundation for Therapeutic Science
  ☆1,176Updated 4 months ago
• kexinhuang12345 / DeepPurpose
  A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)
  ☆1,098Updated last year
• atomistic-machine-learning / schnetpack
  SchNetPack - Deep Neural Networks for Atomistic Systems
  ☆886Updated this week
• openmm / openmm
  OpenMM is a toolkit for molecular simulation using high performance GPU code.
  ☆1,711Updated this week
• insilicomedicine / GENTRL
  Generative Tensorial Reinforcement Learning (GENTRL) model
  ☆625Updated last year
• aqlaboratory / proteinnet
  Standardized data set for machine learning of protein structure
  ☆905Updated 4 years ago
• MolecularAI / aizynthfinder
  A tool for retrosynthetic planning
  ☆737Updated 4 months ago
• a-r-j / graphein
  Protein Graph Library
  ☆1,141Updated last week
• aspuru-guzik-group / chemical_vae
  Code for 10.1021/acscentsci.7b00572, now running on Keras 2.0 and Tensorflow
  ☆539Updated 2 years ago
• gcorso / DiffDock
  Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
  ☆1,370Updated 6 months ago
• facebookresearch / fairchem
  FAIR Chemistry's library of machine learning methods for chemistry
  ☆1,824Updated this week
• AspirinCode / papers-for-molecular-design-using-DL
  List of Molecular and Material design using Generative AI and Deep Learning
  ☆883Updated last week
• mordred-descriptor / mordred
  a molecular descriptor calculator
  ☆445Updated last year
• HIPS / neural-fingerprint
  Convolutional nets which can take molecular graphs of arbitrary size as input.
  ☆499Updated 7 years ago
• pyscf / pyscf
  Python module for quantum chemistry
  ☆1,472Updated this week
• gnina / gnina
  A deep learning framework for molecular docking
  ☆793Updated 2 weeks ago
• hussius / deeplearning-biology
  A list of deep learning implementations in biology
  ☆2,104Updated last year