mcsorkun / AqSolPred-web

Related projects ⓘ

Alternatives and complementary repositories for AqSolPred-web

• jcheminform / fpadmet
  ☆9Updated 3 years ago
• TuomoKalliokoski / HASTEN
  Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening
  ☆35Updated last year
• sekijima-lab / mermaid
  ☆13Updated 3 years ago
• bigginlab / aescore
  Learning Protein-Ligand Properties with Atomic Environment Vectors
  ☆9Updated 7 months ago
• compsciencelab / PromptSMILES
  Scaffold decoration and fragment linking with chemical language models and RL
  ☆24Updated 6 months ago
• uibcdf / PyPharmer
  Python API for Pharmer
  ☆11Updated 5 years ago
• Abdulk084 / CardioTox
  ☆18Updated 3 years ago
• bigginlab / WaterDock-2.0
  WaterDock-2.0 implementation with Akshay Sridhar
  ☆15Updated last year
• MolecularAI / Lib-INVENT-dataset
  ☆18Updated last year
• oxpig / MolSnapper
  ☆22Updated 2 weeks ago
• PatWalters / chembl_sim
  ChEMBL Similarity Search
  ☆17Updated 3 years ago
• molinfo-vienna / apo2ph4
  A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening
  ☆23Updated last year
• f-rianjongdee / bbSelect
  ☆12Updated 6 months ago
• PatWalters / sfi
  An implementation of the Solubility Forecast Index (SFI)
  ☆19Updated 2 years ago
• volkamerlab / kissim_app
  Kinome-wide structural pocket similarity
  ☆10Updated last year
• jRicciL / ML-ensemble-docking
  Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning
  ☆22Updated 2 years ago
• alberdom88 / moo-denovo
  Automated de novo design of drug-like molecular libraries based on deep learning multi-objective optimization
  ☆13Updated 4 years ago
• MolecularAI / DockStreamCommunity
  ☆26Updated last year
• Gervasiolab / Gervasio-Protein-Dynamics
  A repository of the analysis and simulation tools for biomolecular modeling, simulations and drug discovery
  ☆10Updated 8 months ago
• vfscalfani / CSN_tutorial
  Jupyter Notebook Tutorials for Creating Chemical Space Networks
  ☆32Updated 10 months ago
• wehs7661 / REMD_analysis
  A repository for the development of data analysis tools for replica exchange molecular dynamics (REMD) simulations
  ☆12Updated last year
• Brian-hongyan / DeepCoSI
  DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.
  ☆11Updated last year
• JenniferKim09 / FFLOM
  ☆13Updated last year
• keisuke-yanagisawa / exprorer_msmd
  MSMD (mixed-solvent molecular dynamics) engine and analysis tools
  ☆17Updated last month
• DrrDom / spci
  Tool for mining structure-property relationships from chemical datasets
  ☆16Updated 3 weeks ago
• RPirie96 / RGMolSA
  ☆33Updated 8 months ago
• GilbertoPPereira / PROTACability
  ☆11Updated last year
• PatWalters / practicalcheminformatics
  ☆27Updated 3 years ago
• litfsindt / LIT-SpaceDock
  ☆13Updated 4 months ago
• rareylab / InteractionDrawer
  InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.
  ☆17Updated last year