Alternatives and similar repositories for assaytools:

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

• proteneer / khan
  ☆11Updated 6 years ago
• choderalab / ensembler
  Automated omics-scale protein modeling and simulation setup.
  ☆52Updated 3 years ago
• rasbt / siteinterlock
  A novel approach to pose selection in protein-ligand docking based on graph theory.
  ☆20Updated 8 years ago
• msmbuilder / msmexplorer
  Data visualizations for biomolecular dynamics
  ☆18Updated 6 years ago
• rasbt / screenlamp
  screenlamp is a Python toolkit for hypothesis-driven virtual screening
  ☆23Updated 7 years ago
• pandegroup / vs-utils
  Virtual screening and cheminformatics utilities
  ☆14Updated 9 years ago
• 3D-e-Chem / 3D-e-Chem-VM
  Virtual machine with all software and sample data to run 3D-e-Chem Knime workflows
  ☆16Updated 6 years ago
• lightdock / lightdock-python2.7
  Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm
  ☆24Updated 5 years ago
• lewisacidic / scikit-chem
  A high level cheminformatics package for the Scientific Python stack, built on RDKit.
  ☆64Updated 5 years ago
• chembl / chembl_webservices_2
  Source code of the ChEMBL web services.
  ☆16Updated 6 years ago
• rdkit / UGM_2019
  ☆16Updated 5 years ago
• Shen-Lab / BAL
  Bayesian Active Learning for Optimization and Uncertainty Quantification with Applications to Protein Docking
  ☆13Updated 3 years ago
• MolecularAI / route-distances
  Tools and routines to calculate distances between synthesis routes and to cluster them.
  ☆21Updated 2 weeks ago
• PatWalters / dissecting_hype
  Code to accompany my blog post "Dissecting the Hype With Cheminformatics"
  ☆11Updated 5 years ago
• AZCompTox / AZOrange
  AstraZeneca add-ons to Orange.
  ☆21Updated 4 years ago
• rdkit / conda-rdkit
  Conda build recipe for the rdkit
  ☆51Updated 3 years ago
• livecomsjournal / article_templates
  Templates for use in preparing articles for the Living Journal of Computational Molecular Sciences (LiveCoMS)
  ☆9Updated 2 years ago
• openkinome / kinoml
  Structure-informed machine learning for kinase modeling
  ☆53Updated this week
• mdtraj / nma
  Normal Mode Analysis for Macromolecules
  ☆17Updated 8 years ago
• lukasturcani / vabene
  Make valid molecular graphs!
  ☆22Updated last year
• ur-whitelab / maxent
  MaxEnt code for fitting simulation outcomes/statistical models to observations
  ☆16Updated 2 years ago
• GPCRviz / flareplot
  Visualization tool for changing networks
  ☆19Updated 6 years ago
• choderalab / gimlet
  Graph Inference on MoLEcular Topology
  ☆26Updated 2 years ago
• jchodera / statmech-for-biochemists
  A primer on statistical mechanics for biochemists
  ☆46Updated 2 years ago
• choderalab / pinot
  Probabilistic Inference for NOvel Therapeutics
  ☆15Updated 3 years ago
• jensengroup / fragbuilder
  fragbuilder is a tool to create, setup and analyze QM calculations on peptides.
  ☆14Updated 10 years ago
• rdkit / OCEAN
  OCEAN - Optimized Cross rEActivity estimatioN
  ☆11Updated 4 years ago
• emmijokinen / mgpfusion
  mGPfusion is a Gaussian process based method for predicting stability changes upon single and multiple mutations of proteins that comple…
  ☆15Updated 6 years ago
• hainm / molstarview
  This repo is deprecated. I move the work to support molstar in nglview: https://github.com/nglviewer/nglview
  ☆13Updated 4 months ago
• psa-lab / siteinterlock
  A toolkit for predicting the binding mode of small molecules interacting with proteins based on interfacial rigidification, as assessed b…
  ☆9Updated 8 years ago