Alternatives and similar repositories for OpenChem

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

• oddt / oddt
  Open Drug Discovery Toolkit
  ☆458Updated 3 years ago
• molecularsets / moses
  Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
  ☆948Updated last year
• BenevolentAI / guacamol
  Benchmarks for generative chemistry
  ☆494Updated last year
• datamol-io / datamol
  Molecular Processing Made Easy.
  ☆527Updated last year
• gnina / gnina
  A deep learning framework for molecular docking
  ☆843Updated last month
• chainer / chainer-chemistry
  Chainer Chemistry: A Library for Deep Learning in Biology and Chemistry
  ☆684Updated 2 years ago
• aspuru-guzik-group / selfies
  Robust representation of semantically constrained graphs, in particular for molecules in chemistry
  ☆828Updated 8 months ago
• volkamerlab / teachopencadd
  TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data
  ☆959Updated this week
• isayev / ReLeaSE
  Deep Reinforcement Learning for de-novo Drug Design
  ☆367Updated 4 years ago
• aiqm / torchani
  TorchANI 2.0 is an open-source library that supports training, development, and research of ANI-style neural network interatomic potentia…
  ☆536Updated last week
• MolecularAI / aizynthfinder
  A tool for retrosynthetic planning
  ☆786Updated 2 months ago
• torchmd / torchmd
  End-To-End Molecular Dynamics (MD) Engine using PyTorch
  ☆680Updated last month
• aqlaboratory / proteinnet
  Standardized data set for machine learning of protein structure
  ☆907Updated 5 years ago
• jonathanking / sidechainnet
  An all-atom protein structure dataset for machine learning.
  ☆359Updated last year
• MolecularAI / REINVENT4
  AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
  ☆676Updated 2 weeks ago
• PatWalters / practical_cheminformatics_tutorials
  Practical Cheminformatics Tutorials
  ☆1,177Updated last month
• mordred-descriptor / mordred
  a molecular descriptor calculator
  ☆457Updated 2 years ago
• insilicomedicine / GENTRL
  Generative Tensorial Reinforcement Learning (GENTRL) model
  ☆631Updated last year
• MolecularAI / Reinvent
  ☆367Updated 8 months ago
• prody / ProDy
  A Python Package for Protein Dynamics Analysis
  ☆526Updated last week
• chemosim-lab / ProLIF
  Interaction Fingerprints for protein-ligand complexes and more
  ☆473Updated last week
• openmm / pdbfixer
  PDBFixer fixes problems in PDB files
  ☆617Updated 3 months ago
• dellacortelab / prospr
  ProSPr: Protein Structure Prediction
  ☆419Updated 3 years ago
• rxn4chemistry / rxnmapper
  RXNMapper: Unsupervised attention-guided atom-mapping. Code complementing our Science Advances publication on "Extraction of organic chem…
  ☆354Updated 6 months ago
• gcorso / DiffDock
  Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
  ☆1,430Updated 9 months ago
• seyonechithrananda / bert-loves-chemistry
  bert-loves-chemistry: a repository of HuggingFace models applied on chemical SMILES data for drug design, chemical modelling, etc.
  ☆486Updated last year
• ccsb-scripps / AutoDock-GPU
  AutoDock for GPUs and other accelerators
  ☆559Updated last month
• MarcusOlivecrona / REINVENT
  Molecular De Novo design using Recurrent Neural Networks and Reinforcement Learning
  ☆334Updated 4 years ago
• a-r-j / graphein
  Protein Graph Library
  ☆1,158Updated 2 weeks ago
• aspuru-guzik-group / chemical_vae
  Code for 10.1021/acscentsci.7b00572, now running on Keras 2.0 and Tensorflow
  ☆545Updated 2 years ago