Alternatives and similar repositories for GenAI4Drug:

Users that are interested in GenAI4Drug are comparing it to the libraries listed below

• lmqfly / Geometry-Deep-Learning-for-Drug-Discovery
  Geometry Deep Learning for Drug Discovery and Life Science
  ☆66Updated 10 months ago
• zaixizhang / Awesome-SBDD
  Papers about Structure-based Drug Design (SBDD)
  ☆98Updated 3 months ago
• zaixizhang / FLAG
  Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
  ☆62Updated 11 months ago
• huankoh / PSICHIC
  PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence da…
  ☆95Updated 9 months ago
• bowen-gao / DrugCLIP
  [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening
  ☆80Updated 10 months ago
• Layne-Huang / PMDM
  ☆121Updated 4 months ago
• CMACH508 / KGDiff
  Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance
  ☆31Updated last year
• HHW-zhou / LLM4Mol
  A comprehensive repository dedicated to the collection and exploration of studies utilizing Large Language Models for molecular design, p…
  ☆39Updated last year
• DirectMolecularConfGen / DMCG
  ☆51Updated 2 years ago
• KyGao / awesome-docking
  An awesome & curated list of docking papers
  ☆103Updated 2 weeks ago
• OmicsML / awesome-molecule-protein-pretrain-papers
  ☆35Updated last year
• smiles724 / ProtMD
  ☆63Updated 2 years ago
• HBioquant / DiffBindFR
  Diffusion model based protein-ligand flexible docking method
  ☆101Updated 4 months ago
• 595693085 / DGraphDTA
  a novel DTA predition method using graph neural network
  ☆73Updated last year
• agave233 / GeomGCL
  Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".
  ☆21Updated 2 years ago
• guaguabujianle / MGraphDTA
  ☆50Updated 7 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…
  ☆58Updated last year
• YangLing0818 / IPDiff
  [ICLR 2024] Protein-Ligand Interaction Prior for Binding-aware 3D Molecule Diffusion Models
  ☆35Updated 6 months ago
• molML / MoleculeACE
  A tool for evaluating the predictive performance on activity cliff compounds of machine learning models
  ☆179Updated last month
• wzxxxx / Prompt-MolOpt
  a multi-property optimization method.
  ☆31Updated 3 months ago
• Wang-Lin-boop / GeminiMol
  Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…
  ☆47Updated this week
• KyGao / ABGNN
  PyTorch code for KDD 2023 paper "Pre-training Antibody Language Models for Antigen-Specific Computational Antibody Design"
  ☆50Updated last year
• OdinZhang / ResGen
  3D_Molecular_Generation
  ☆85Updated 4 months ago
• OdinZhang / SurfGen
  SurfGen: Learning on Topological Surface and Geometric Structure for 3D Molecular Generation
  ☆61Updated 4 months ago
• uta-smile / SMILES-BERT
  ☆45Updated 4 years ago
• THUNLP-MT / dyMEAN
  This repo contains the codes for our paper "End-to-End Full-Atom Antibody Design"
  ☆102Updated 3 weeks ago
• guanjq / targetdiff
  The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)
  ☆244Updated last year
• wzxxxx / Knowledge-based-BERT
  K-BERT for molecular property prediction.
  ☆29Updated 2 years ago
• yazdanimehdi / AttentionSiteDTI
  This is The repository for Paper "AttentionSiteDTI: Attention Based Model for Predicting Drug-Target Interaction Using Graph Representati…
  ☆43Updated last year
• QizhiPei / SSM-DTA
  SSM-DTA: Breaking the Barriers of Data Scarcity in Drug-Target Affinity Prediction (Briefings in Bioinformatics 2023)
  ☆52Updated 9 months ago