biomed-AI / DRlinker

Related projects ⓘ

Alternatives and complementary repositories for DRlinker

• MolecularAI / DockStreamCommunity
  ☆26Updated last year
• MolecularAI / Lib-INVENT-dataset
  ☆18Updated last year
• jkwang93 / ChemistGA
  ☆24Updated 2 years ago
• micahwang / RELATION
  ☆15Updated 2 years ago
• mindrank-ai / PharmaBench
  ☆26Updated 7 months ago
• HankerWu / TamGent
  Tailoring Molecules for Protein Pockets: a Transformer-based Generative Solution for Structured-based Drug Design
  ☆20Updated last year
• sekijima-lab / mermaid
  ☆13Updated 3 years ago
• PNNL-CompBio / 3D_Scaffold
  ☆25Updated 2 years ago
• oxpig / MolSnapper
  ☆22Updated last week
• giovanni-bolcato / deepFMPOv3D
  Implementation of Shape and Electrostatic similarity metric in deepFMPO.
  ☆43Updated 2 years ago
• deep-scaffold / deep_scaffold
  ☆25Updated 4 years ago
• molecularmodelinglab / bigbind
  The BigBind protein-ligand binding dataset (and BayesBind benchmark)
  ☆17Updated last week
• tblaschke / reinvent-memory
  Code for memory-assisted reinforcement learning
  ☆21Updated 4 years ago
• illidanlab / MolSearch
  Implementation of MolSearch paper
  ☆22Updated last year
• larngroup / DiverseDRL
  ☆11Updated 4 years ago
• molinfo-vienna / apo2ph4
  A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening
  ☆23Updated last year
• MorganCThomas / SMILES-RNN
  Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation
  ☆40Updated 2 weeks ago
• jacquesboitreaud / OptiMol
  Optimization of binding affinities in chemical space for drug discovery
  ☆36Updated last year
• giaguaro / PROTACable
  PROTACable is an end-to-end in-silico design toolkit for novel PROTACs
  ☆27Updated 5 months ago
• oxpig / DEVELOP
  ☆56Updated 8 months ago
• Academich / reagents
  Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.
  ☆26Updated last month
• hnlab / BindingNet
  ☆20Updated 4 months ago
• 5AGE-zhang / TocoDecoy
  ☆12Updated 2 years ago
• brueckna2020 / MDFit
  Automated molecular dynamics simulations workflow for high-throughput assessment of protein-ligand dynamics
  ☆18Updated 9 months ago
• sun-heqi / MultiPPIMI
  A deep learning framework for predicting interactions between protein-protein interaction targets and modulators
  ☆11Updated 11 months ago
• MolFilterGAN / MolFilterGAN
  ☆13Updated last year
• yydiao1025 / MacFrag
  ☆18Updated last year
• ohuelab / QEPPI
  Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions
  ☆18Updated 11 months ago
• pfizer-opensource / transform-molecules
  ☆16Updated last year
• RekerLab / DeepDelta
  DeepDelta is a pairwise deep learning approach based on Chemprop that processes two molecules simultaneously and learns to predict proper…
  ☆45Updated 8 months ago