Alternatives and similar repositories for yield-paper

Users that are interested in yield-paper are comparing it to the libraries listed below

• tsudalab / ACP4
  AutoCorrelation of Pharmacophore Features
  ☆15Updated 2 years ago
• sekijima-lab / SIEVE-Score
  SIEVE-Score: interaction energy-based virtual screening method based on random forest.
  ☆15Updated 2 years ago
• iktos / generation-under-synthetic-constraint
  ☆19Updated 11 months ago
• iwatobipen / rdkit_pains
  pains filter using rdktit
  ☆11Updated 10 years ago
• Xundrug / MolTaut
  MolTaut, a tool for the rapid generation of favorable states of drug-like molecules in water
  ☆18Updated 2 years ago
• alberdom88 / moo-denovo
  Automated de novo design of drug-like molecular libraries based on deep learning multi-objective optimization
  ☆13Updated 5 years ago
• MolecularAI / NonadditivityAnalysis
  Notebook for standardization of actvity data, nonadditivity analysis and its evaluation.
  ☆12Updated 2 years ago
• molinfo-vienna / apo2ph4
  A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening
  ☆30Updated 5 months ago
• molecularinformatics / PretrainedAL-VS
  ☆12Updated last year
• PatWalters / fragment_expansion
  Software tools for fragment-based drug discovery (FBDD)
  ☆27Updated 5 years ago
• sekijima-lab / mermaid
  ☆12Updated 4 years ago
• j9650 / MedusaNet
  ☆16Updated 4 years ago
• compsciencelab / PromptSMILES
  Scaffold decoration and fragment linking with chemical language models and RL
  ☆26Updated 7 months ago
• arwalkerlab / AutoParams
  ☆28Updated last year
• ZimmermanGroup / conformer-rl
  A deep reinforcement learning library for conformer generation.
  ☆19Updated last year
• gkxiao / BBB-score
  A script using RDKit to reproduce the BBB score reported by Gupta.
  ☆11Updated 4 years ago
• chunkyun / ACGCN
  ACGCN: Graph Convolutional Networks for Activity Cliff Prediction Between Matched Molecular Pairs (Park et al., 2022)
  ☆19Updated 2 years ago
• rdkit / AutomatedSeriesClassification
  ☆23Updated 4 years ago
• ci-lab-cz / crem-dock
  CReM-dock: generation of chemically reasonable molecules guided by molecular docking
  ☆27Updated last month
• Laboratoire-de-Chemoinformatique / RDTool
  Optimized version of the Reaction Decoder Tool (RDTool)
  ☆18Updated 5 years ago
• Genentech / SASS
  ☆12Updated 11 months ago
• chuiyang / atom-based_uncertainty_model
  ☆12Updated last year
• molecule-generator-collection / QCforever
  ☆24Updated 2 weeks ago
• TanemuraKiyoto / AutoGraph
  AutoGraph: autonomous graph based clustering of metabolite conformations
  ☆12Updated 3 years ago
• MolecularAI / DockStreamCommunity
  ☆26Updated 2 years ago
• UnixJunkie / dimorphite_dl
  Mirror of https://git.durrantlab.pitt.edu/jdurrant/dimorphite_dl/
  ☆19Updated 2 years ago
• WIMNZhao / AIR
  AI-augmented R-group exploration in medicinal chemistry
  ☆18Updated last year
• prescient-design / StrainRelief
  ☆23Updated this week
• otayfuroglu / deepQM
  ☆28Updated 5 months ago
• xchem / fragalysis-api
  A python API for fragalysis (fragalysis.diamond.ac.uk)
  ☆13Updated 2 years ago