Alternatives and similar repositories for AIDD_RDKit_Tutorial_2021

Users that are interested in AIDD_RDKit_Tutorial_2021 are comparing it to the libraries listed below

• EBjerrum / pdchemchain
  Rapid construction of chemical pipelines in interactive notebooks and cli usage
  ☆12Updated 8 months ago
• TuomoKalliokoski / HASTEN
  Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening
  ☆39Updated last year
• WIMNZhao / AIR
  AI-augmented R-group exploration in medicinal chemistry
  ☆17Updated 8 months ago
• litfsindt / LIT-SpaceDock
  ☆16Updated 11 months ago
• mcsorkun / AqSolPred-web
  Online solubility prediction tool (streamlit) that runs the top-performing ML model (AqSolPred).
  ☆10Updated 6 months ago
• ScaffoldSplitsOverestimateVS / ScaffoldSplitsOverestimateVS
  ☆12Updated 4 months ago
• RPirie96 / RGMolSA
  ☆34Updated last year
• karanicolaslab / combichem
  Virtual screening approach for fragments selection and merging to lead-like compounds
  ☆13Updated 3 years ago
• healx / lig3dlens
  ☆53Updated 3 months ago
• molinfo-vienna / apo2ph4
  A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening
  ☆26Updated 2 weeks ago
• rdkit / UGM_2024
  13th RDKit UGM. 11-13 September in Zurich, Switzerland
  ☆25Updated 6 months ago
• PatWalters / practicalcheminformatics
  ☆27Updated 3 years ago
• keisuke-yanagisawa / exprorer
  EXPRORER: Rational cosolvents set construction method for cosolvent molecular dynamics (CMD) with large-scale computation
  ☆11Updated 2 years ago
• Abdulk084 / CardioTox
  ☆18Updated 5 months ago
• Aouidate / Chemoinformatics-compiliation
  In the current repository, I will try to compile the sources of Cheminformatics that can be helpful for anyone that needs them
  ☆32Updated 3 months ago
• sekijima-lab / mermaid
  ☆13Updated 3 years ago
• greglandrum / rdkit-blog-fastpages
  ☆19Updated 2 years ago
• ci-lab-cz / crem-dock
  CReM-dock: generation of chemically reasonable molecules guided by molecular docking
  ☆25Updated last week
• monterosatx / gloop-mining
  Code used in paper for G-loop mining.
  ☆9Updated 3 months ago
• DIFACQUIM / Cursos
  Tutoriales de Quimioinformática aplicada al diseño de fármacos
  ☆16Updated 2 months ago
• yydiao1025 / MacFrag
  ☆26Updated 2 years ago
• rdkit / UGM_2023
  Materials from the 2023 RDKit UGM
  ☆34Updated last year
• uibcdf / PyPharmer
  Python API for Pharmer
  ☆12Updated 5 years ago
• grisoniFr / scaffold_hopping_whales
  Code to perform scaffold hopping and virtual screening using WHALES descriptors.
  ☆31Updated 4 years ago
• Albert-Lau-Lab / tactics_protein_analysis
  ☆17Updated last year
• jRicciL / ML-ensemble-docking
  Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning
  ☆23Updated 3 years ago
• giaguaro / PROTACable
  PROTACable is an end-to-end in-silico design toolkit for novel PROTACs
  ☆29Updated last year
• monterosatx / molecular-surface-mining
  Code used to mine surfaces.
  ☆15Updated 3 months ago
• ghiander / chemprop-jazzy
  Extended version of the Chemprop framework that allows the calculation of atomistic and molecular Jazzy/Kallisto features.
  ☆16Updated 4 months ago
• compsciencelab / PromptSMILES
  Scaffold decoration and fragment linking with chemical language models and RL
  ☆25Updated 2 months ago