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A simple python package to solve all your problems with pythonpath, work dir, file paths, module imports and environment variables.
Implementation for SE(3) diffusion model with application to protein backbone generation
A C++ library for molecular modelling, cheminformatics and molecular visualization.
Third-party libraries used by the Biochemical Algorithms Library (BALL)
The Biochemical Library (BCL) integrates traditional small molecule cheminformatics tools with machine learning-based quantitative structure-activity/property relationship (QSAR/QSPR) modeling. The…
RosettaCommons / bcl_rosetta
Forked from BCLCommons/bclA version of the Biochemical Library (BCL; https://github.com/BCLCommons/bcl) for integration with Rosetta.
The Rosetta Bio-macromolecule modeling package.
✏️Add and update your authoring information in header comment
A neovim plugin to automatically create and update code file headers
This project is aimed at jump-starting a C/C++ project that can build libraries, binaries and have a working unit test suite. It uses CMake build system and is deliberately completely minimal.
Simple Qt Widgets desktop app, to illustrate the integration of Python scripts into a C++ qmake project.
Ehancements to Emacs' built in project library.
Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm
MPI parallel version of the FTDock protein-protein docking algorithm
Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm
Semantic Refactor is a refactoring tool based on Semantic parser framework
language-specific refactoring in Emacs
Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
A small app to export molecules rendered with VTK's chemistry support to POVRay.
A game where your soldiers are molecules, in the smallest battle field possible
A CLI tool to embed interactive PUML diagrams to your github markdown files.