Alternatives and similar repositories for RAscore

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

• Xundrug / MolGpKa
  The graph-convolutional neural network for pka prediction
  ☆85Updated last year
• Laboratoire-de-Chemoinformatique / Synt-On
  Open-source tool for synthons-based library design.
  ☆81Updated 8 months ago
• czodrowskilab / Machine-learning-meets-pKa
  ☆76Updated 2 years ago
• coleygroup / pyscreener
  pythonic interface to virtual screening software
  ☆89Updated last week
• MolecularAI / Lib-INVENT
  ☆56Updated 2 years ago
• matteoferla / Python_SmallWorld_API
  An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)
  ☆42Updated last year
• reymond-group / drfp
  An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.
  ☆70Updated 3 months ago
• connorcoley / scscore
  ☆105Updated 4 years ago
• PatWalters / TS
  Thompson Sampling
  ☆74Updated 4 months ago
• durrantlab / dimorphite_dl
  Adds or removes hydrogen atoms to achieve the appropriate molecular protonation state for a user-specified pH range
  ☆43Updated last month
• MolecularAI / aizynthtrain
  Tools to train synthesis prediction models
  ☆27Updated last year
• IanAWatson / Lilly-Medchem-Rules
  Implementation of Lilly Medchem Rules - J Med Chem 2012
  ☆91Updated 5 months ago
• keiradams / SQUID
  Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"
  ☆66Updated 9 months ago
• dptech-corp / Uni-pKa
  The official repository of Uni-pKa
  ☆69Updated 5 months ago
• ghiander / novana
  Cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.
  ☆52Updated 6 months ago
• molecularinformatics / roshambo
  ☆85Updated last year
• molecularinformatics / Computational-ADME
  ☆92Updated last year
• cimm-kzn / 3D-MIL-QSAR
  Ligand bioactivity prediction
  ☆58Updated last year
• volkamerlab / KinFragLib
  Kinase-focused fragment library
  ☆65Updated last week
• CDDLeiden / QSPRpred
  A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.
  ☆72Updated 5 months ago
• mahendra-awale / medchem_moves
  ☆46Updated 4 years ago
• liutairan / eMolFrag
  eMolFrag is a molecular fragmentation tool based on BRICS algorithm written in Python.
  ☆49Updated 5 years ago
• EliLillyCo / LillyMol
  LillyMol Public Code
  ☆113Updated 2 weeks ago
• jrwnter / mso
  Implementation of the method proposed in the paper "Efficient Multi-Objective Molecular Optimization in a Continuous Latent Space" by Rob…
  ☆79Updated 4 years ago
• DrrDom / pmapper
  3D pharmacophore signatures and fingerprints
  ☆107Updated 4 months ago
• Bayer-Group / xsmiles
  Visualize atom and non-atom attributions and SMILES strings
  ☆48Updated 2 years ago
• osmoai / osmordred
  Mordred port in cpp
  ☆50Updated 6 months ago
• coleygroup / del_qsar
  ☆30Updated 3 years ago
• uibcdf / OpenPharmacophore
  An open library to work with pharmacophores.
  ☆45Updated 2 years ago
• coleygroup / sparrow
  ☆55Updated 2 months ago