Alternatives and similar repositories for assaytools

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

• choderalab / ensembler
  Automated omics-scale protein modeling and simulation setup.
  ☆53Updated 3 years ago
• msmbuilder / msmexplorer
  Data visualizations for biomolecular dynamics
  ☆18Updated 6 years ago
• proteneer / khan
  ☆11Updated 6 years ago
• rasbt / siteinterlock
  A novel approach to pose selection in protein-ligand docking based on graph theory.
  ☆20Updated 8 years ago
• rasbt / screenlamp
  screenlamp is a Python toolkit for hypothesis-driven virtual screening
  ☆24Updated 7 years ago
• lukasturcani / vabene
  Make valid molecular graphs!
  ☆22Updated last year
• ocramz / jupyter-docker-pymol
  Container-based installation of pymol, with interaction through the browser via Jupyter notebook
  ☆20Updated 6 years ago
• chembl / chembl_webservices_2
  Source code of the ChEMBL web services.
  ☆16Updated 6 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
• pandegroup / vs-utils
  Virtual screening and cheminformatics utilities
  ☆14Updated 9 years ago
• AZCompTox / AZOrange
  AstraZeneca add-ons to Orange.
  ☆22Updated 4 years ago
• jchodera / statmech-for-biochemists
  A primer on statistical mechanics for biochemists
  ☆46Updated 2 years ago
• rdkit / conda-rdkit
  Conda build recipe for the rdkit
  ☆50Updated 3 years ago
• rdkit / UGM_2019
  ☆16Updated 5 years ago
• GPCRviz / flareplot
  Visualization tool for changing networks
  ☆19Updated 7 years ago
• lewisacidic / scikit-chem
  A high level cheminformatics package for the Scientific Python stack, built on RDKit.
  ☆63Updated 5 years ago
• choderalab / pinot
  Probabilistic Inference for NOvel Therapeutics
  ☆15Updated 3 years ago
• lightdock / lightdock-python2.7
  Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm
  ☆24Updated 5 years ago
• BobbyLangan / DeNovoDesignofBioactiveProteinSwitches
  Code used in the manuscript for De Novo Design of Bioactive Protein Switches
  ☆16Updated 6 years ago
• insilichem / pychimera
  Use UCSF Chimera Python API in a standard interpreter
  ☆58Updated 6 years ago
• mdtraj / nma
  Normal Mode Analysis for Macromolecules
  ☆17Updated 8 years ago
• choderalab / gimlet
  Graph Inference on MoLEcular Topology
  ☆26Updated 2 years ago
• RUBi-ZA / MODE-TASK
  PCA and normal mode analysis of proteins
  ☆17Updated last year
• 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
• jensengroup / fragbuilder
  fragbuilder is a tool to create, setup and analyze QM calculations on peptides.
  ☆14Updated 10 years ago
• PatWalters / dissecting_hype
  Code to accompany my blog post "Dissecting the Hype With Cheminformatics"
  ☆12Updated 5 years ago
• CSBG-LSU / BionoiNet
  Pytorch implementation of BionoiNet, which is a deep learning-based software to classify ligand-binding sites.
  ☆20Updated 3 years ago
• rdkit / OCEAN
  OCEAN - Optimized Cross rEActivity estimatioN
  ☆11Updated 5 years ago
• msmbuilder / mdentropy
  Analyze correlated motions in MD trajectories with only a few lines of Python.
  ☆32Updated 7 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 7 years ago