Alternatives and similar repositories for molvecgen

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

• XinhaoLi74 / MolPMoFiT
  ☆45Updated 3 years ago
• Xundrug / MolGpKa
  The graph-convolutional neural network for pka prediction
  ☆91Updated last year
• RMeli / gnina-torch
  🔥 PyTorch implementation of GNINA scoring function for molecular docking
  ☆72Updated 9 months ago
• liutairan / eMolFrag
  eMolFrag is a molecular fragmentation tool based on BRICS algorithm written in Python.
  ☆50Updated 5 years ago
• DrrDom / pmapper
  3D pharmacophore signatures and fingerprints
  ☆111Updated 7 months ago
• ifyoungnet / ADMETlab
  A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.
  ☆75Updated last year
• coleygroup / pyscreener
  pythonic interface to virtual screening software
  ☆91Updated 3 months ago
• MolecularAI / Lib-INVENT
  ☆61Updated 2 years ago
• MolecularAI / pysmilesutils
  Utilities for working with SMILES based encodings of molecules for deep learning (PyTorch oriented)
  ☆83Updated last year
• oxpig / DEVELOP
  ☆56Updated last year
• YuYaoYang2333 / SyntaLinker
  Automatic Fragment Linking with Deep Conditional Transformer Neural Networks
  ☆55Updated 3 years ago
• reymond-group / RAscore
  Retrosynthetic Accessibility (RA) score learned from computer aided synthesis planning
  ☆91Updated 4 years ago
• MolecularAI / DockStream
  DockStream: A Docking Wrapper to Enhance De Novo Molecular Design
  ☆127Updated 2 years ago
• llnl / FAST
  Fusion models for Atomic and molecular STructures (FAST)
  ☆92Updated 2 years ago
• recursionpharma / mole_public
  Recursion's molecular foundation model
  ☆64Updated 6 months ago
• cimm-kzn / 3D-MIL-QSAR
  Conformer multi-instance machine Learning
  ☆59Updated 3 months ago
• jaechanglim / GGM
  graph generative model for molecule
  ☆40Updated 6 years ago
• fimrie / DeepCoy
  ☆31Updated last year
• iwatobipen / py4chemoinformatics
  Python for chemoinformatics
  ☆52Updated 6 years ago
• ETHmodlab / virtual_libraries
  Supporting code for the paper «Generative molecular design in low data regimes»
  ☆64Updated 4 years ago
• akensert / molgraph
  Graph neural networks for molecular machine learning: Implemented and compatible with TensorFlow and Keras.
  ☆61Updated 3 months ago
• jenniening / deltaVinaXGB
  This is a machine-learning based protein-ligand scoring function.
  ☆52Updated 5 years ago
• HyunSeobKim / CHEM-BERT
  pre-training BERT with molecular data
  ☆50Updated 4 years ago
• zhenglz / onionnet
  A multiple-layer inter-molecular contact features based deep neural network for protein-ligand binding affinity prediction
  ☆81Updated 5 years ago
• samuelmurail / docking_py
  Docking_py is a python library allowing a simplified use of the Smina, vina, qvina2 and qvinaw docking software. Docking_py can be easily…
  ☆67Updated 11 months ago
• theochem / B3DB
  A large benchmark dataset, Blood-Brain Barrier Database (B3DB), complied from 50 published resources.
  ☆72Updated 3 months ago
• czodrowskilab / Machine-learning-meets-pKa
  ☆77Updated 2 years ago
• Laboratoire-de-Chemoinformatique / Synt-On
  Open-source tool for synthons-based library design.
  ☆84Updated 11 months ago
• wzxxxx / MGA
  MGA
  ☆44Updated 4 years ago
• ETHmodlab / BIMODAL
  Supporting code for the paper "Bidirectional Molecule Generation with Recurrent Neural Networks" (J. Chem. Inf. 2020, 60, 3).
  ☆53Updated 5 years ago