Alternatives and similar repositories for prediction-of-water-solubility

Users that are interested in prediction-of-water-solubility are comparing it to the libraries listed below

• Saminakausar / Automated-framework-for-QSAR-model-building
  ☆10Updated 6 years ago
• whymin / HOB
  Machine learning model for predicting Human Oral Bioavailability
  ☆14Updated 3 years ago
• mcsorkun / AqSolPred-web
  Online solubility prediction tool (streamlit) that runs the top-performing ML model (AqSolPred).
  ☆10Updated last year
• PatWalters / sfi
  An implementation of the Solubility Forecast Index (SFI)
  ☆23Updated 2 months ago
• Team-SKI / snippets
  Snippets for common computer-aided drug design tasks
  ☆10Updated 8 years ago
• ecrl / alvadescpy
  A Python wrapper for alvaDesc software
  ☆10Updated last year
• PatWalters / chembl_sim
  ChEMBL Similarity Search
  ☆17Updated 5 years ago
• pzc / herg_chembl_jcim
  RDKit code for the JCIM article
  ☆17Updated 12 years ago
• srijitseal / PKSmart
  PKSmart: Predicting PK properties using Chemical Structures
  ☆18Updated 2 months ago
• cadd-synthetic / GASA
  Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism
  ☆23Updated 2 years ago
• chembl / compound_target_pairs_dataset
  Automatic extraction of interacting compound-target pairs from ChEMBL.
  ☆19Updated 2 months ago
• iwatobipen / chemo_info
  ☆32Updated 7 months ago
• nadinulrich / log_P_prediction
  ☆13Updated 4 years ago
• zoecournia / FEPrepare
  ☆10Updated 4 years ago
• Abdulk084 / CardioTox
  ☆22Updated 11 months ago
• weitse-hsu / REMD_analysis
  A repository for the development of data analysis tools for replica exchange molecular dynamics (REMD) simulations
  ☆13Updated 2 years ago
• MolecularAI / Lib-INVENT-dataset
  ☆21Updated 2 years ago
• dkoes / show_contacts
  PyMOL Plugin for displaying polar contacts
  ☆18Updated 6 years ago
• QVina / QVina.github.io
  The code for the QuickVina homepage.
  ☆36Updated 3 years ago
• jidushanbojue / YaSAScore
  Prediction of compound synthesis accessibility bashed on reaction knowledge graph
  ☆18Updated 3 years ago
• volkamerlab / kissim_app
  Kinome-wide structural pocket similarity
  ☆10Updated 2 years ago
• kotori-y / pySmash
  Smash molecule and obtain significant fragments
  ☆19Updated 4 years ago
• meister-paul-j / Basic-Cheminformatics-Pipeline
  Going through a setting up a basic cheminformatics pipeline for the target EGFR
  ☆19Updated 8 months ago
• sekijima-lab / mermaid
  ☆11Updated 4 years ago
• josejimenezluna / molgrad
  Supporting code for doi 10.1021/acs.jcim.0c01344
  ☆23Updated 3 years ago
• compsciencelab / PromptSMILES
  Scaffold decoration and fragment linking with chemical language models and RL
  ☆26Updated 8 months ago
• uibcdf / PyPharmer
  Python API for Pharmer
  ☆12Updated 6 years ago
• gaoqiweng / PROTAC-Model
  Integrative modeling of PROTAC-mediated ternary complex
  ☆28Updated 3 years ago
• ncats / herg-ml
  ☆17Updated 2 years ago
• jRicciL / ML-ensemble-docking
  Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning
  ☆25Updated 3 years ago