Alternatives and similar repositories for hotspots:

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

• TuomoKalliokoski / HASTEN
  Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening
  ☆37Updated last year
• openkinome / kinodata
  Collection of scripts / notebooks to reliably select datasets
  ☆28Updated last year
• mqcomplab / bitbirch
  BitBIRCH clustering algorithm
  ☆39Updated last month
• mahendra-awale / medchem_moves
  ☆44Updated 4 years ago
• healx / lig3dlens
  ☆51Updated 6 months ago
• Albert-Lau-Lab / tactics_protein_analysis
  ☆17Updated 11 months ago
• Carlssonlab / conformalpredictor
  Machine learning accelerated docking screens
  ☆27Updated last week
• greglandrum / rdkit-blog-fastpages
  ☆19Updated 2 years ago
• rinikerlab / overlapping_assays
  Code and datasets from the manuscript "Comparing IC50 or Ki values from different sources is a source of significant noise".
  ☆34Updated last year
• novonordisk-research / pepfunn
  Python package for the analysis of natural and modified peptides using a set of modules to study their sequences
  ☆24Updated 2 weeks ago
• PatWalters / TS
  Thompson Sampling
  ☆55Updated last month
• wolberlab / dynophores
  Dynamic pharmacophore modeling of molecular interactions
  ☆34Updated 9 months ago
• xchem / fragalysis
  A repo for analysis of ensembles of protein-ligand complexes
  ☆29Updated last year
• czodrowskilab / VSFlow
  ☆86Updated last year
• IFMlab / ChemFlow
  Computational Chemistry Workflows
  ☆54Updated 2 years ago
• Laboratoire-de-Chemoinformatique / Synt-On
  Open-source tool for synthons-based library design.
  ☆71Updated 3 weeks ago
• volkamerlab / KinFragLib
  Kinase-focused fragment library
  ☆64Updated this week
• tiantz17 / MolSHAP
  Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"
  ☆22Updated last year
• PatWalters / practicalcheminformatics
  ☆27Updated 3 years ago
• protocaller / ProtoCaller
  Full automation of relative protein-ligand binding free energy calculations in GROMACS
  ☆44Updated 3 years ago
• schrodinger / public_binding_free_energy_benchmark
  The public versio
  ☆41Updated last year
• otayfuroglu / deepQM
  ☆26Updated 7 months ago
• PatWalters / practical_cheminformatics_posts
  Practical Cheminformatics Blog Posts
  ☆56Updated last week
• fimrie / DeepCoy
  ☆24Updated 11 months ago
• yydiao1025 / MacFrag
  ☆19Updated last year
• ci-lab-cz / streamd
  Automate MD associated calculations
  ☆53Updated this week
• Vfold-RNA / RLDOCK
  ☆30Updated 9 months ago
• adalke / mmpdb
  A package to identify matched molecular pairs and use them to predict property changes.
  ☆24Updated 9 months ago
• uibcdf / OpenPharmacophore
  An open library to work with pharmacophores.
  ☆43Updated last year
• dkoes / pharmit
  Open-source online virtual screening tools for large databases
  ☆15Updated 6 months ago