choderalab / assaytoolsView external linksLinks
Modeling and Bayesian analysis of fluorescence and absorbance assays.
☆20Sep 20, 2021Updated 4 years ago
Alternatives and similar repositories for assaytools
Users that are interested in assaytools are comparing it to the libraries listed below
Sorting:
- Tool collection to integrate and mix OpenEye and OpenMM☆14Jul 17, 2023Updated 2 years ago
- A python API for fragalysis (fragalysis.diamond.ac.uk)☆13May 22, 2023Updated 2 years ago
- MolSSI SARS-CoV-2 Biomolecular Simulation Data and Algorithm Store☆31Dec 16, 2023Updated 2 years ago
- Analyze correlated motions in MD trajectories with only a few lines of Python.☆33Jan 17, 2018Updated 8 years ago
- Applications of nonequilibrium candidate Monte Carlo (NCMC) to ligand binding mode sampling☆34Nov 12, 2025Updated 3 months ago
- A collection of molecular modelling tools for UCSF Chimera☆17Mar 26, 2019Updated 6 years ago
- Reinforcement learning environments for drug discovery☆18Aug 23, 2024Updated last year
- Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium☆46Jan 5, 2026Updated last month
- conda build recipes for the Omnia project☆24Aug 3, 2021Updated 4 years ago
- pdbx is a parser module in python for structures of the protein data bank in the mmcif format☆30Aug 9, 2024Updated last year
- Graph Inference on MoLEcular Topology☆26Mar 25, 2023Updated 2 years ago
- A general small molecule force field descended from AMBER99 and parm@Frosst, available in the SMIRNOFF format☆31Dec 19, 2025Updated last month
- An open set of tools for automating tasks relating to small molecules☆69Oct 27, 2021Updated 4 years ago
- Tool to predict water molecules placement and energy in ligand binding sites☆35Sep 16, 2025Updated 4 months ago
- MMTSB Tool Set☆33Jan 26, 2026Updated 2 weeks ago
- Python library for adaptive QM/MM methods☆28Feb 10, 2020Updated 6 years ago
- A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.☆313Jan 7, 2026Updated last month
- PyGBe: Python, GPUs and Boundary elements for electrostatics☆69Aug 8, 2023Updated 2 years ago
- A high performance drop-in replacement for Biotite's PDBFile.☆41May 27, 2025Updated 8 months ago
- Quantori Python SDK for PerkinElmer Signals Notebook☆13Feb 23, 2023Updated 2 years ago
- A function invocation framework for Python☆11Feb 21, 2024Updated last year
- Learning materials for the 3000788 Introduction to Computational Molecular Biology course☆23Nov 19, 2025Updated 2 months ago
- Deep Network Fusion (deepNF)☆32May 4, 2020Updated 5 years ago
- This jupyter notebook let's you convert sdf to pdb or SMILES to pdbqt file formats for a batch of compounds to perform cheminformatics an…☆12Nov 22, 2023Updated 2 years ago
- Adaptive string method implementation in AmberTools23 and Amber22☆14Jan 7, 2025Updated last year
- Code and resources for the EPSRC BioSimSpace project.☆78Sep 1, 2025Updated 5 months ago
- Modeling molecular ensembles with scalable data structures and parallel computing☆36Jan 13, 2026Updated last month
- An open-source python library for the processing of fluorescence video data☆16Jul 5, 2025Updated 7 months ago
- small wiki engine based on static reST files and git for versionning☆25Oct 26, 2015Updated 10 years ago
- ☆13Aug 12, 2022Updated 3 years ago
- Code used to generate a dataset quantifying multi-drug use in 80 million patients' prescription drugs claims☆10Sep 26, 2017Updated 8 years ago
- md++ code☆13Feb 3, 2026Updated last week
- The Valuation of Convertible Bonds with Credit Risk (for Honours in Advanced Mathematics of Finance research project, at the University o…☆11Nov 23, 2012Updated 13 years ago
- Information geometry and its extension information topology☆11Dec 2, 2017Updated 8 years ago
- Fitting the Hill Equation to Experimental Data☆13Jan 19, 2026Updated 3 weeks ago
- wwPDB PDBx/mmCIF Dictionary☆10Jan 28, 2026Updated 2 weeks ago
- python simulation interface for molecular modeling. To cite this software publication: https://www.sciencedirect.com/science/article/pii/…☆13Aug 24, 2016Updated 9 years ago
- Soft benchmark sets for alchemical free energy calculations, for assessing their accuracy on biomolecular systems☆16Mar 8, 2019Updated 6 years ago
- A python implementation of pdb2oniom for QM/MM (ONIOM) calculations☆10Oct 2, 2025Updated 4 months ago