Alternatives and similar repositories for covid-moonshot

Users that are interested in covid-moonshot are comparing it to the libraries listed below

• openkinome / kinoml
  Structure-informed machine learning for kinase modeling
  ☆58Updated this week
• michellab / BioSimSpace
  Code and resources for the EPSRC BioSimSpace project.
  ☆78Updated 2 months ago
• samplchallenges / SAMPL6
  Challenge inputs, details, and results for the SAMPL6 series of challenges
  ☆54Updated 3 years ago
• rdkit / conda-rdkit
  Conda build recipe for the rdkit
  ☆51Updated 3 years ago
• whitead / molbloom
  Molecular bloom filter tool
  ☆126Updated 2 months ago
• aretasg / dockit
  High-throughput molecular docking with multiple targets and ligands using Vina series engines
  ☆32Updated 5 years ago
• wlsong / PyLipID
  A python toolkit for analysing membrane protein-lipid interactions.
  ☆68Updated last week
• rxdock / rxdock
  RxDock is a fork of rDock. Note: the latest code is under development. Please do git checkout patched-rdock after clone if you want patch…
  ☆69Updated 3 years ago
• CCBatIIT / AlGDock
  Molecular docking with Alchemical Interaction Grids
  ☆29Updated last month
• MobleyLab / blues
  Applications of nonequilibrium candidate Monte Carlo (NCMC) to ligand binding mode sampling
  ☆34Updated 2 weeks ago
• volkamerlab / opencadd
  A Python library for structural cheminformatics
  ☆103Updated 6 months ago
• whitead / molcloud
  Make a bunch of molecules
  ☆97Updated 11 months ago
• rdkit / UGM_2021
  Materials from the (virtual) 2021 RDKit UGM
  ☆38Updated 4 years ago
• PatWalters / practical_cheminformatics_posts
  Practical Cheminformatics Blog Posts
  ☆66Updated 2 weeks ago
• gnina / SolTranNet
  Implementation of the SolTranNet tool utilizing the molecular transformer to predict aqueous solubility
  ☆39Updated 4 years ago
• drugdata / D3R
  Drug Design Data Resource is a suite of software to enable filtering, docking, and scoring of new sequences from wwpdb.
  ☆25Updated 2 years ago
• rdkit / UGM_2016
  Materials from the 2016 RDKit UGM
  ☆40Updated 8 years ago
• sirimullalab / DLSCORE
  DLSCORE: A deep learning based scoring function for predicting protein-ligand binding affinity
  ☆48Updated 2 years ago
• reymond-group / map4
  The MinHashed Atom Pair fingerprint of radius 2
  ☆117Updated 2 years ago
• coleygroup / pyscreener
  pythonic interface to virtual screening software
  ☆91Updated last month
• openmm / openmm-setup
  An application for configuring and running simulations with OpenMM
  ☆74Updated this week
• pulimeng / eToxPred
  A simple tool to predict the general toxicity and calculate the synthesize accessibility (SA) score for small molecules.
  ☆51Updated 5 months ago
• choderalab / qmlify
  ☆44Updated 3 years ago
• apahl / mol_frame
  Chemical Structure Handling for Pandas DataFrames
  ☆33Updated 2 years ago
• rasbt / smilite
  A Python module to retrieve and compare SMILE strings of chemical compounds from the free ZINC online database
  ☆83Updated 5 years ago
• schrodinger / schrodingerdeepchem
  Deep-learning models for Drug Discovery and Quantum Chemistry
  ☆27Updated 8 years ago
• JanainaCruz / DeepVS
  Boosting Docking-Based Virtual Screening with Deep Learning
  ☆32Updated 5 years ago
• nextmovesoftware / molhash
  Create molecular hashes
  ☆27Updated 6 years ago
• delemottelab / demystifying
  ☆20Updated 5 years ago
• reymond-group / mhfp
  Molecular MHFP fingerprints for cheminformatics applications
  ☆93Updated 2 years ago