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22 search results found

Therapeutics Data Commons: Artificial Intelligence Foundation for Therapeutic Science

Awesome Cheminformatics ⭐ 473

A curated list of Cheminformatics libraries and software.

The Chemistry Development Kit

Avogadro ⭐ 283

Avogadro 1 is not under active development, the repository was archived in September 2021. Development of Avogadro 2 is being done at https://github.com/openchemistry/avogadrolibs. Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.

Lightdock ⭐ 234

Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm

PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.

Celescope ⭐ 73

Single Cell Analysis Pipelines

Awesome Scientific Go ⭐ 62

Go libraries for scientific computing

Awesome Structural Bioinformatics ⭐ 54

Structural Bioinformatics is awesome. Throw your textbook in the garbage, light the garbage can on fire, and blend the ashes into your cold brew almond milk latte and read this.

This library tackles the construction and efficient execution of computational chemistry workflows

Software for biomolecular electrostatics and solvation calculations

Pycontact ⭐ 34

Analysis of non-covalent interactions in MD trajectories

Awesome Sequencing Tech Papers ⭐ 26

A collection of publications on comparison of high-throughput sequencing technologies.

Electrostatics.github.io ⭐ 23

APBS & PDB2PQR - software for biomolecular electrostatics and solvation

Correlationplus ⭐ 18

A Python package to calculate, visualize and analyze correlation maps of proteins.

Biobtree ⭐ 13

A bioinformatics tool to search, map and retrieve identifiers, keywords and attributes

Proteindf ⭐ 12

Canonical (Kohn-Sham) molecular orbital calculation software for large molecules such as protein

Vespucci ⭐ 12

A free (open source), cross-platform tool for spectroscopic data analysis and imaging

Avogenerators ⭐ 8

Python input file generators for Avogadro 2

Ambit Mirror ⭐ 6

GitHub read-only mirror of AMBIT

Protein-Protein Docking using Genetic Algorithm

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1-22 of 22 search results

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