Alternatives and similar repositories for MolPMoFiT:

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

• iwatobipen / py4chemoinformatics
  Python for chemoinformatics
  ☆51Updated 5 years ago
• EBjerrum / molvecgen
  Molecular vectorization and batch generation
  ☆51Updated 3 years ago
• greglandrum / RSC_OpenScience_Standardization_202104
  Materials for my presentation on molecular standardization as part of the RSC OpenScience workshop series
  ☆46Updated 3 years ago
• ifyoungnet / ADMETlab
  A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.
  ☆61Updated 8 months ago
• cimm-kzn / 3D-MIL-QSAR
  Ligand bioactivity prediction
  ☆55Updated 7 months ago
• MolecularAI / Lib-INVENT
  ☆56Updated last year
• XinhaoLi74 / Hierarchical-QSAR-Modeling
  ☆30Updated 5 years ago
• DrrDom / pmapper
  3D pharmacophore signatures and fingerprints
  ☆103Updated 2 months ago
• ETHmodlab / virtual_libraries
  Supporting code for the paper «Generative molecular design in low data regimes»
  ☆65Updated 3 years ago
• stan-his / DeepFMPO
  Code accompanying the paper "Deep reinforcement learning for multiparameter optimization in de novo drug design"
  ☆66Updated 3 years ago
• Coughy1991 / Reaction_condition_recommendation
  Code for training machine learning model for reaction condition prediction
  ☆40Updated 4 years ago
• fimrie / DeLinker
  ☆38Updated 4 years ago
• coleygroup / pyscreener
  pythonic interface to virtual screening software
  ☆86Updated last year
• MolecularAI / Icolos
  Icolos: A workflow manager for structure based post-processing of de novo generated small molecules
  ☆55Updated last year
• Xundrug / MolGpKa
  The graph-convolutional neural network for pka prediction
  ☆74Updated last year
• kotori-y / Scopy
  An integrated negative design python library for desirable HTS/VS database design
  ☆44Updated 2 years ago
• IanAWatson / Lilly-Medchem-Rules
  Implementation of Lilly Medchem Rules - J Med Chem 2012
  ☆86Updated 4 months ago
• cthoyt / chembl-downloader
  Write reproducible code for getting and processing ChEMBL
  ☆72Updated last week
• Hyunseung-Kim / molGCT
  ☆25Updated last year
• ETHmodlab / BIMODAL
  Supporting code for the paper "Bidirectional Molecule Generation with Recurrent Neural Networks" (J. Chem. Inf. 2020, 60, 3).
  ☆52Updated 4 years ago
• maxime-langevin / scaffold-constrained-generation
  ☆37Updated 4 years ago
• czodrowskilab / VSFlow
  ☆86Updated last week
• reymond-group / map4
  The MinHashed Atom Pair fingerprint of radius 2
  ☆112Updated last year
• PatWalters / TS
  Thompson Sampling
  ☆61Updated 2 months ago
• PatWalters / practical_cheminformatics_posts
  Practical Cheminformatics Blog Posts
  ☆58Updated last week
• rdkit / UGM_2022
  Materials from the 2022 UGM
  ☆44Updated 2 years ago
• deep-scaffold / deep_scaffold
  ☆25Updated 5 years ago
• liutairan / eMolFrag
  eMolFrag is a molecular fragmentation tool based on BRICS algorithm written in Python.
  ☆49Updated 4 years ago
• czodrowskilab / Machine-learning-meets-pKa
  ☆73Updated last year
• MolecularAI / DockStream
  DockStream: A Docking Wrapper to Enhance De Novo Molecular Design
  ☆114Updated last year