Alternatives and similar repositories for MolBERT

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

• ETHmodlab / BIMODAL
  Supporting code for the paper "Bidirectional Molecule Generation with Recurrent Neural Networks" (J. Chem. Inf. 2020, 60, 3).
  ☆51Updated 5 years ago
• qiangbo1222 / Uni-RXN-official
  ☆28Updated last year
• jaechanglim / GGM
  graph generative model for molecule
  ☆38Updated 5 years ago
• zjujdj / InteractionGraphNet
  InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…
  ☆45Updated 2 years ago
• recursionpharma / mole_public
  Recursion's molecular foundation model
  ☆53Updated last month
• AITRICS / FREED
  Fragment-based generative RL with Explorative Experience replay for Drug design (FREED)
  ☆54Updated 3 years ago
• DrugAI / ACNet
  ☆16Updated 3 years ago
• MorganCThomas / SMILES-RNN
  Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation
  ☆60Updated 4 months ago
• MolecularAI / Lib-INVENT
  ☆56Updated 2 years ago
• maxime-langevin / scaffold-constrained-generation
  ☆37Updated 4 years ago
• hskang0906 / DTI-Prediction
  Drug-Target Interactive Prediction Model using ChemBERTa and ProtBert
  ☆15Updated 8 months ago
• HyunSeobKim / CHEM-BERT
  pre-training BERT with molecular data
  ☆47Updated 3 years ago
• zjujdj / IGN
  InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…
  ☆31Updated 3 years ago
• MolecularAI / pysmilesutils
  Utilities for working with SMILES based encodings of molecules for deep learning (PyTorch oriented)
  ☆78Updated last year
• CSUBioGroup / PGMG
  The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.
  ☆63Updated last year
• mindrank-ai / PharmaBench
  ☆41Updated last year
• danielvlla / Few-Shot-Learning-for-Low-Data-Drug-Discovery
  Few-shot machine learning for low-data drug discovery.
  ☆19Updated 3 years ago
• wzxxxx / Prompt-MolOpt
  a multi-property optimization method.
  ☆33Updated 7 months ago
• conghaowang / GLDM
  ☆18Updated 6 months ago
• ninglab / Modof
  The implementation of Modof for Molecule Optimization
  ☆28Updated last year
• EBjerrum / molvecgen
  Molecular vectorization and batch generation
  ☆50Updated 4 years ago
• snu-lcbc / atom-in-SMILES
  Atom-in-SMILES tokenizer for SMILES strings.
  ☆37Updated 11 months ago
• asarigun / awesome-denovo-papers
  Awesome De novo drugs design papers
  ☆88Updated last year
• wzxxxx / MGA
  MGA
  ☆43Updated 4 years ago
• idrugLab / hignn
  Code for "HiGNN: A Hierarchical Informative Graph Neural Network for Molecular Property Prediction Equipped with Feature-Wise Attention"
  ☆50Updated 2 years ago
• lmqfly / Geometry-Deep-Learning-for-Drug-Discovery
  Geometry Deep Learning for Drug Discovery and Life Science
  ☆70Updated last year
• RMeli / gnina-torch
  🔥 PyTorch implementation of GNINA scoring function for molecular docking
  ☆65Updated 4 months ago
• alxfgh / Large-Language-Models-in-Chemistry
  Working collection of papers, repos and models of transformer based language models trained or tuned for the Chemical domain, from natura…
  ☆65Updated 2 years ago
• uta-smile / SMILES-BERT
  ☆49Updated 4 years ago
• shenwanxiang / ChemBench
  MoleculeNet benchmark dataset & MolMapNet dataset
  ☆64Updated 3 years ago