catenate15
Abdulmujeeb is a PhD student at the Institute of Molecular Biosciences (IMB) at the University of Queensland.
University of QueenslandAustralia
Pinned Repositories
aizynthfinder
A tool for retrosynthetic planning
alphafold
Open source code for AlphaFold.
automate-youtube-with-crewai
Automated AI agent
Automation-in-the-discovery-of-drugs-for-Flaviviruses---West-Nile-and-Dengue-virus
avogadro
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.
awesome-machine-learning
A curated list of awesome Machine Learning frameworks, libraries and software.
awesome-mlops
A curated list of references for MLOps
awesome-production-machine-learning
A curated list of awesome open source libraries to deploy, monitor, version and scale your machine learning
deriver
torchmd
End-To-End Molecular Dynamics (MD) Engine using PyTorch
catenate15's Repositories
catenate15/chemprop
Message Passing Neural Networks for Molecule Property Prediction
catenate15/chainer-chemistry
Chainer Chemistry: A Library for Deep Learning in Biology and Chemistry
catenate15/cookiecutter-cms
Python-centric Cookiecutter for Molecular Computational Chemistry Packages
catenate15/ChemputerSoftware
Software for running the Chemputer in association with the supporting publication in Science
catenate15/smirnoff99Frosst
A general small molecule force field descended from AMBER99 and parm@Frosst, available in the SMIRNOFF format
catenate15/IWCSEC
IWCSEC is an effective tool to calculate surface energies from the geometric data of particle shapes
catenate15/avogadro
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.