Alternatives and similar repositories for Prompt-MolOpt

Users that are interested in Prompt-MolOpt are comparing it to the libraries listed below

• wzxxxx / MGA
  MGA
  ☆44Updated 4 years ago
• wzxxxx / Substructure-Mask-Explanation
  structure-based explanation methods
  ☆28Updated last year
• mindrank-ai / PharmaBench
  ☆50Updated last year
• Wang-Lin-boop / GeminiMol
  Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…
  ☆63Updated 3 months ago
• CSUBioGroup / PGMG
  The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.
  ☆65Updated last year
• Chokyotager / NotYetAnotherNightshade
  Graph variational encoders for drug engineering and potentiation
  ☆30Updated 2 years ago
• zjujdj / InteractionGraphNet
  InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…
  ☆47Updated 2 years ago
• OdinZhang / ResGen
  3D_Molecular_Generation
  ☆101Updated 11 months ago
• youqingxiaozhua / DeepTernary
  ☆37Updated 3 months ago
• qiangbo1222 / Uni-RXN-official
  ☆27Updated last year
• MorganCThomas / SMILES-RNN
  Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation
  ☆64Updated last week
• viko-3 / TargetGAN
  ☆28Updated 2 years ago
• zchwang / DeepRMSD-Vina_Optimization
  DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.
  ☆42Updated last year
• ComputArtCMCG / PLANET
  ☆70Updated last year
• MolecularAI / Lib-INVENT
  ☆58Updated 2 years ago
• jkwang93 / Token-Mol
  Token-Mol 1.0：tokenized drug design with large language model
  ☆56Updated last month
• QiaoyuHu89 / DiffGui
  ☆53Updated last week
• stonewiseAIDrugDesign / Lingo3DMol
  ☆60Updated last year
• guaguabujianle / GIGN
  ☆48Updated 2 years ago
• Brian-hongyan / 3D-MCTS
  3D-MCTS: A general structure-based molecule generation method with MCTS.
  ☆44Updated last year
• CMACH508 / KGDiff
  Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance
  ☆35Updated last year
• AndMastro / protein-ligand-GNN
  This repository contains the code for the work on protein-ligand interaction with GNNs and XAI
  ☆36Updated last year
• j9650 / MedusaGraph
  ☆28Updated 3 years ago
• Shihang-Wang-58 / DeepSA
  A Deep-learning Driven Predictor of Compound Synthesis Accessibility
  ☆36Updated 5 months ago
• iipharma / transpharmer-repo
  ☆40Updated 7 months ago
• plainerman / DiffDock-Pocket
  Implementation of DiffDock-Pocket: Diffusion for Pocket-Level Docking with Side Chain Flexibility
  ☆34Updated last year
• yydiao1025 / MacFrag
  ☆27Updated 2 years ago
• smu-tao-group / ADMET_XGBoost
  Accurate ADMET Prediction with XGBoost
  ☆40Updated 2 years ago
• jiaxianyan / BioMiner
  A Multi-modal System for Automated Mining of Protein-Ligand Bioactivity Data from Literature
  ☆61Updated 4 months ago
• sc8668 / RTMScore
  ☆109Updated 2 years ago