Alternatives and similar repositories for ADMET-PrInt

Users that are interested in ADMET-PrInt are comparing it to the libraries listed below

• MolecularAI / DockStreamCommunity
  ☆26Updated 2 years ago
• litfsindt / LIT-SpaceDock
  ☆16Updated 11 months ago
• joewah / PheSAExamples
  ☆11Updated 11 months ago
• mldlproject / 2021-iCYP-MFE
  Source code and data of the paper entitled "iCYP-MFE: Identifying Human Cytochrome P450 Inhibitors using Multi-task Learning and Molecula…
  ☆17Updated 2 years ago
• TuomoKalliokoski / HASTEN
  Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening
  ☆39Updated last year
• molinfo-vienna / apo2ph4
  A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening
  ☆27Updated last month
• uibcdf / PyPharmer
  Python API for Pharmer
  ☆12Updated 6 years ago
• WIMNZhao / TS_Enhanced
  Enhanced Thompson Sampling
  ☆10Updated 2 months ago
• i-TripleD / iScore
  Implementation of the Paper "iScore: A ML-Based Scoring Function for de novo Drug Discovery" by S.J. Mahdizadeh, and L.A. Eriksson (https…
  ☆16Updated last year
• sekijima-lab / mermaid
  ☆13Updated 3 years ago
• monterosatx / molecular-surface-mining
  Code used to mine surfaces.
  ☆15Updated 4 months ago
• MolecularAI / Lib-INVENT-dataset
  ☆20Updated 2 years ago
• jeah-z / IFP-RNN
  A molecule generative model used interaction fingerprint (docking pose) as constraints.
  ☆15Updated 3 years ago
• bigginlab / aescore
  Learning Protein-Ligand Properties with Atomic Environment Vectors
  ☆10Updated last year
• tiantz17 / CARA
  Benchmarking compound activity prediction for real-world drug discovery applications
  ☆12Updated last year
• f-rianjongdee / bbSelect
  ☆12Updated last year
• AnHorn / AIMLinker
  Fragment Linker Prediction Using Deep Encoder-Decoder Network for PROTAC Drug Design
  ☆10Updated last year
• micahwang / RELATION
  ☆17Updated 2 years ago
• tiantz17 / MolSHAP
  Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"
  ☆24Updated last year
• JenniferKim09 / FFLOM
  ☆15Updated last year
• monterosatx / gloop-mining
  Code used in paper for G-loop mining.
  ☆9Updated 4 months ago
• karanicolaslab / combichem
  Virtual screening approach for fragments selection and merging to lead-like compounds
  ☆13Updated 3 years ago
• issararab / CToxPred
  Comprehensive cardiotoxicity prediction tool of small molecules on three targets: hERG, Nav1.5, Cav1.2
  ☆19Updated 9 months ago
• jcheminform / fpadmet
  ☆9Updated 3 years ago
• pfizer-opensource / transform-molecules
  ☆17Updated 2 years ago
• hnlab / BindingNet
  ☆25Updated 11 months ago
• giaguaro / PROTACable
  PROTACable is an end-to-end in-silico design toolkit for novel PROTACs
  ☆29Updated last year
• mcsorkun / AqSolPred-web
  Online solubility prediction tool (streamlit) that runs the top-performing ML model (AqSolPred).
  ☆10Updated 7 months ago
• keisuke-yanagisawa / exprorer_msmd
  MSMD (mixed-solvent molecular dynamics) engine and analysis tools
  ☆19Updated 2 months ago
• jRicciL / ML-ensemble-docking
  Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning
  ☆23Updated 3 years ago