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/deriver
catenate15/awesome-mlops
A curated list of references for MLOps
catenate15/mlflow
Open source platform for the machine learning lifecycle
catenate15/ML-From-Scratch
Machine Learning From Scratch. Bare bones NumPy implementations of machine learning models and algorithms with a focus on accessibility. Aims to cover everything from linear regression to deep learning.
catenate15/molpal
active learning for accelerated high-throughput virtual screening
catenate15/Lib-INVENT
catenate15/mutagenicity-prediction
The developed model is for the prediction of mutagenicity of chemical compounds based on the structural information using deep learning neural networks. It could be useful in human and environmental risk assessment and may substitute the available, but less performant ML methods and computational approaches.
catenate15/LigTMap
LigTMap currently supports prediction for 17 protein target classes that include 6000+ protein targets.
catenate15/torchmd
End-To-End Molecular Dynamics (MD) Engine using PyTorch
catenate15/Compound2DeNovoDrugPropMax
catenate15/Target2DeNovoDrugPropMax
catenate15/SSnet
catenate15/deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
catenate15/soapgp
Molecular Property Prediction using GP with a SOAP kernel
catenate15/serf
Code and example data from a synthetic compound phenotypic screen identifying efflux substrates in E. coli
catenate15/Compound2Drug
catenate15/DeepLearningProject
An in-depth machine learning tutorial introducing readers to a whole machine learning pipeline from scratch.
catenate15/spotone
SpotONE: hot SPOTs ON protein complexes with Extremely randomized trees via sequence-only features
catenate15/entry-cli
Command line app for predicting bacterial accumulation
catenate15/Data-Science-Cheatsheet
catenate15/Automation-in-the-discovery-of-drugs-for-Flaviviruses---West-Nile-and-Dengue-virus
catenate15/Pilgrim
A thermal rate constant calculator and kinetics Monte Carlo Simulator
catenate15/xtb
Semiempirical Extended Tight-Binding Program Package
catenate15/covid
MolSSI SARS-CoV-2 Biomolecular Simulation Data and Algorithm Store
catenate15/Reinvent
catenate15/gnina
A deep learning framework for molecular docking
catenate15/selfies
Robust representation of semantically constrained graphs, in particular for molecules in chemistry
catenate15/cgcnn
Crystal graph convolutional neural networks for predicting material properties.
catenate15/CoV_Sequences
SARS-CoV-2 genome from Nigeria
catenate15/Ghalat-Machine-Learning