Alternatives and similar repositories for MolBERT:

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

• zjujdj / IGN
  InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…
  ☆29Updated 3 years ago
• qiangbo1222 / Uni-RXN-official
  ☆25Updated 9 months ago
• zjujdj / InteractionGraphNet
  InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…
  ☆43Updated last year
• mindrank-ai / PharmaBench
  ☆27Updated 9 months ago
• luoyunan / KDBNet
  Kinase–drug binding prediction with calibrated uncertainty quantification
  ☆24Updated 11 months ago
• MolecularAI / Lib-INVENT
  ☆56Updated last year
• danielvlla / Few-Shot-Learning-for-Low-Data-Drug-Discovery
  Few-shot machine learning for low-data drug discovery.
  ☆18Updated 2 years ago
• Academich / reagents
  Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.
  ☆25Updated 3 months ago
• akiyamalab / cycpeptmp
  Implementation of CycPeptMP, an accurate and efficient model for predicting the membrane permeability of cyclic peptides
  ☆16Updated last month
• jaechanglim / GGM
  graph generative model for molecule
  ☆37Updated 5 years ago
• wzxxxx / Prompt-MolOpt
  a multi-property optimization method.
  ☆28Updated last month
• MorganCThomas / SMILES-RNN
  Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation
  ☆46Updated 2 months ago
• MolecularAI / Lib-INVENT-dataset
  ☆18Updated last year
• oxpig / DEVELOP
  ☆56Updated 10 months ago
• snu-lcbc / atom-in-SMILES
  Atom-in-SMILES tokenizer for SMILES strings.
  ☆34Updated 5 months ago
• LabWeng / MeTDDI
  ☆19Updated 4 months ago
• HaotianZhangAI4Science / AI-Physics-DrugDiscovery
  my own studied materials and scripts
  ☆43Updated last month
• BFeng14 / ActFound
  Official implementation for ActFound: A bioactivity foundation model using pairwise meta-learning
  ☆36Updated 2 months ago
• jkwang93 / ChemistGA
  ☆23Updated 2 years ago
• Brian-hongyan / 3D-MCTS
  3D-MCTS: A general structure-based molecule generation method with MCTS.
  ☆40Updated 6 months ago
• EBjerrum / molvecgen
  Molecular vectorization and batch generation
  ☆51Updated 3 years ago
• maxime-langevin / scaffold-constrained-generation
  ☆37Updated 4 years ago
• uta-smile / SMILES-BERT
  ☆43Updated 4 years ago
• hskang0906 / DTI-Prediction
  Drug-Target Interactive Prediction Model using ChemBERTa and ProtBert
  ☆12Updated 2 months ago
• tiantz17 / MolSHAP
  Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"
  ☆22Updated last year
• AITRICS / FREED
  Fragment-based generative RL with Explorative Experience replay for Drug design (FREED)
  ☆51Updated 2 years ago
• lmqfly / Geometry-Deep-Learning-for-Drug-Discovery
  Geometry Deep Learning for Drug Discovery and Life Science
  ☆60Updated 8 months ago
• micahwang / RELATION
  ☆14Updated 2 years ago
• meyresearch / SILVR
  ☆33Updated 7 months ago
• biomed-AI / DRlinker
  ☆22Updated 2 years ago