larngroup / DiverseDRL

Related projects ⓘ

Alternatives and complementary repositories for DiverseDRL

• sekijima-lab / mermaid
  ☆13Updated 3 years ago
• MolecularAI / Lib-INVENT-dataset
  ☆18Updated last year
• PNNL-CompBio / 3D_Scaffold
  ☆25Updated 2 years ago
• biomed-AI / DRlinker
  ☆21Updated 2 years ago
• MolecularAI / DockStreamCommunity
  ☆26Updated last year
• jcheminform / fpadmet
  ☆9Updated 3 years ago
• n-yoshikawa / retrosynthesis_bot
  Twitter retrosynthesis bot
  ☆11Updated 2 years ago
• tblaschke / reinvent-memory
  Code for memory-assisted reinforcement learning
  ☆21Updated 4 years ago
• compsciencelab / PromptSMILES
  Scaffold decoration and fragment linking with chemical language models and RL
  ☆24Updated 6 months ago
• volkamerlab / kissim_app
  Kinome-wide structural pocket similarity
  ☆10Updated last year
• deep-scaffold / deep_scaffold
  ☆25Updated 4 years ago
• Academich / reagents
  Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.
  ☆26Updated 3 weeks ago
• jacquesboitreaud / OptiMol
  Optimization of binding affinities in chemical space for drug discovery
  ☆36Updated last year
• PaccMann / paccmann_chemistry
  Generative models of chemical data for PaccMann^RL
  ☆14Updated last year
• MorganCThomas / SMILES-RNN
  Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation
  ☆38Updated this week
• jkwang93 / ChemistGA
  ☆24Updated 2 years ago
• schwallergroup / augmented_memory
  Augmented Memory and Beam Enumeration implementation
  ☆21Updated 5 months ago
• yifang000 / QADD
  De Novo Drug Design by Iterative Multi-Objective Deep Reinforcement Learning with graph-based Molecular Quality Assessment
  ☆14Updated last year
• uibcdf / PyPharmer
  Python API for Pharmer
  ☆11Updated 5 years ago
• yydiao1025 / MacFrag
  ☆18Updated last year
• micahwang / RELATION
  ☆15Updated last year
• pfnet-research / RJT-RL
  RJT-RL: De novo molecular design using a Reversible Junction Tree and Reinforcement Learning
  ☆23Updated 2 years ago
• MolecularAI / reinvent-hitl
  Code for paper "Human-in-the-Loop Assisted de Novo Molecular Design".
  ☆22Updated last year
• bigginlab / WaterDock-2.0
  WaterDock-2.0 implementation with Akshay Sridhar
  ☆15Updated last year
• alberdom88 / moo-denovo
  Automated de novo design of drug-like molecular libraries based on deep learning multi-objective optimization
  ☆13Updated 4 years ago
• prokia / deepHops
  source code for deppHop
  ☆33Updated 2 years ago
• gaoqiweng / PROTAC-Model
  Integrative modeling of PROTAC-mediated ternary complex
  ☆22Updated 2 years ago
• Abdulk084 / CardioTox
  ☆18Updated 3 years ago
• iktos / generation-under-synthetic-constraint
  ☆16Updated 2 years ago
• giovanni-bolcato / deepFMPOv3D
  Implementation of Shape and Electrostatic similarity metric in deepFMPO.
  ☆43Updated 2 years ago