Alternatives and similar repositories for deep

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

• choderalab / ensembler
  Automated omics-scale protein modeling and simulation setup.
  ☆53Updated 3 years ago
• ur-whitelab / nmrgnn
  Graph neural network for predicting NMR chemical shifts
  ☆52Updated 3 years ago
• BobbyLangan / DeNovoDesignofBioactiveProteinSwitches
  Code used in the manuscript for De Novo Design of Bioactive Protein Switches
  ☆16Updated 6 years ago
• lukasturcani / vabene
  Make valid molecular graphs!
  ☆22Updated last year
• insilichem / pychimera
  Use UCSF Chimera Python API in a standard interpreter
  ☆58Updated 6 years ago
• feiglab / sars-cov-2-proteins
  ☆21Updated 5 years ago
• matteofigliuzzi / bmDCA
  ☆18Updated 7 years ago
• aqlaboratory / hsm
  Code associated with "Biophysical prediction of protein-peptide interactions and signaling networks using machine learning."
  ☆70Updated last year
• jscant / PointVS
  SE(3)-equivariant point cloud networks for virtual screening
  ☆21Updated 2 years ago
• KULL-Centre / FRETpredict
  Software for the prediction of FRET data from conformational ensembles.
  ☆22Updated 8 months ago
• salilab / imp
  The Integrative Modeling Platform
  ☆77Updated this week
• rdkit / CheTo
  CheTo - Chemical Topic Modeling
  ☆32Updated 4 years ago
• openkinome / kinoml
  Structure-informed machine learning for kinase modeling
  ☆57Updated this week
• ginkgobioworks / ginkgoai-protein-embedding-tutorial
  Tutorial on how to use Ginkgo AI embedding APIs for scientific problems
  ☆19Updated 9 months ago
• shiwentao00 / Pocket2Drug
  Pytorch implementation of Pocket2Drug: a generative deep learning model to predict binding drugs for ligand-binding sites.
  ☆22Updated 3 years ago
• ELELAB / pyinteraph
  A software research tool for the analysis of structural communication in protein ensembles
  ☆13Updated 3 years ago
• samplchallenges / SAMPL6
  Challenge inputs, details, and results for the SAMPL6 series of challenges
  ☆54Updated 3 years ago
• DarkMatterAI / mrl
  Molecular Reinforcement Learning
  ☆14Updated 2 years ago
• Degiacomi-Lab / biobox
  a toolbox for the manipulation, modelling and analysis of molecular structures
  ☆27Updated 10 months ago
• donaldlab / OSPREY3
  Open Source Protein REdesign for You v3
  ☆54Updated last month
• jchodera / statmech-for-biochemists
  A primer on statistical mechanics for biochemists
  ☆47Updated 2 years ago
• rdkit / conda-rdkit
  Conda build recipe for the rdkit
  ☆50Updated 3 years ago
• drorlab / GPCR-mining
  Functions to scrape GPCR data from the web.
  ☆16Updated 3 years ago
• ba-lab / pdnet
  PDNET: A fully open-source framework for deep learning protein real-valued distances
  ☆36Updated 4 years ago
• ur-whitelab / wazy
  Bayesian Optimization with Pretrained Protein Sequence Models
  ☆56Updated last year
• Pranavkhade / PACKMAN
  Python package built around protein structure and dynamics. OpenBabel-inspired objects.
  ☆36Updated 3 months ago
• pierrepo / PBxplore
  A suite of tools to explore protein structures with Protein Blocks
  ☆29Updated 4 years ago
• sebotic / cdk_pywrapper
  A Python wrapper for the Chemistry Development Kit (CDK)
  ☆33Updated last week
• PDBeurope / pdbe-api-training
  Interactive Python notebooks for PDBe API training
  ☆55Updated 2 months ago
• kliment-olechnovic / voronota
  Voronota is a software tool for analyzing three-dimensional structures of biological macromolecules using the Voronoi diagram of atomic b…
  ☆36Updated this week