Alternatives and similar repositories for FP2VEC

Users that are interested in FP2VEC are comparing it to the libraries listed below

• DS3Lab / RosENet
  ☆37Updated 4 years ago
• EBjerrum / molvecgen
  Molecular vectorization and batch generation
  ☆50Updated 4 years ago
• iwatobipen / py4chemoinformatics
  Python for chemoinformatics
  ☆51Updated 6 years ago
• maxime-langevin / scaffold-constrained-generation
  ☆39Updated 4 years ago
• liutairan / eMolFrag
  eMolFrag is a molecular fragmentation tool based on BRICS algorithm written in Python.
  ☆49Updated 5 years ago
• LLNL / FAST
  Fusion models for Atomic and molecular STructures (FAST)
  ☆92Updated 2 years ago
• XinhaoLi74 / MolPMoFiT
  ☆45Updated 3 years ago
• deep-scaffold / deep_scaffold
  ☆25Updated 5 years ago
• jaechanglim / GNN_DTI
  ☆67Updated 5 years ago
• cieplinski-tobiasz / smina-docking-benchmark
  ☆75Updated 3 years ago
• ifyoungnet / ADMETlab
  A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.
  ☆75Updated last year
• RMeli / gnina-torch
  🔥 PyTorch implementation of GNINA scoring function for molecular docking
  ☆70Updated 8 months ago
• jaechanglim / GGM
  graph generative model for molecule
  ☆40Updated 5 years ago
• jacquesboitreaud / OptiMol
  Optimization of binding affinities in chemical space for drug discovery
  ☆35Updated 2 years ago
• fimrie / DeLinker
  ☆38Updated 4 years ago
• MolecularAI / MolBART
  Pretrained SMILES transformation model for finetuning for diverse molecular tasks.
  ☆50Updated 3 years ago
• coleygroup / pyscreener
  pythonic interface to virtual screening software
  ☆91Updated 2 months ago
• ardigen / mol-cycle-gan
  Mol-CycleGAN - a generative model for molecular optimization
  ☆78Updated 6 years ago
• HyunSeobKim / CHEM-BERT
  pre-training BERT with molecular data
  ☆49Updated 4 years ago
• drorlab / combind
  Integrated physics-based and ligand-based modeling.
  ☆64Updated 2 weeks ago
• jenniening / deltaVinaXGB
  This is a machine-learning based protein-ligand scoring function.
  ☆52Updated 5 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
• oxpig / DEVELOP
  ☆55Updated last year
• Xundrug / MolGpKa
  The graph-convolutional neural network for pka prediction
  ☆90Updated last year
• oxpig / DeLinker
  ☆133Updated 3 years ago
• wenhao-gao / askcos_synthesizability
  ☆28Updated 3 years ago
• wzxxxx / MGA
  MGA
  ☆44Updated 4 years ago
• undeadpixel / reinvent-scaffold-decorator
  A SMILES-based encoder-decoder architecture for molecular scaffold decoration
  ☆83Updated 5 years ago
• oddt / rfscorevs
  RF-Score-VS - Random forest based protein-ligand scoring function for Virtual Screening
  ☆49Updated 6 years ago
• pulimeng / DeepDrug3D
  A convolutional neural network for classifying binding pockets based on spatial and chemical information extracted from the pockets.
  ☆106Updated 4 years ago