Abdurrahman Elbasir's repositories
DeepCrystal
DeepCrystal: A Deep Learning Framework for sequence-based Protein Crystallization Prediction
AIDD_RDKit_Tutorial_2021
Materials from the Intro to the RDKit tutorial at AIDD 2021
BCrystal
BCrystal: An Interpretable Sequence-Based Protein Crystallization Predictor
CAMDA-DILI
Prediction and mechanistic analysis of Drug-Induced Liver Injury (DILI) based on chemical structure
chembl_multitask
blogpost notebooks
chembl_multitask_model
Target prediction multitask neural network
ChEMBL_Structure_Pipeline
ChEMBL database structure pipelines
Drug-Repurposing
Data Driven Drug Repurposing for COVID-19
pxea
ProXimal pathway Enrichment Analysis
chemprop
Message Passing Neural Networks for Molecule Property Prediction
dmol-book
Deep learning for molecules and materials book
DSOL_rv0.2
deep protein solubility prediction
easy-scraping-tutorial
Simple but useful Python web scraping tutorial code.
Evolutionary-Algorithm
Evolutionary Algorithm using Python
gae-dgl
Reimplementation of Graph Autoencoder by Kipf & Welling with DGL.
keras-deep-graph-learning
Welcome to Keras Deep Learning on Graphs (Keras-DGL) http://vermaMachineLearning.github.io/keras-deep-graph-learning
metstab-shap
Analyse metabolic stability predictions using SHapley Additive exPlanations.
paper-bray2017
Source code from Bray et al., (2017) A dataset of images and morphological profiles of 30,000 small-molecule treatments using the Cell Painting assay.
practical_cheminformatics_tutorials
Practical Cheminformatics Tutorials
py4chemoinformatics
Python for chemoinformatics
pypharma_2019
notebooks and data for my presentation at PyPharma2019
pytorch-generative-model-collections
Collection of generative models in Pytorch version.
PyTorch-Tutorial
Build your neural network easy and fast
staged-recipes
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
Tensorflow-Tutorial
Tensorflow tutorial from basic to hard
youtube-8m
Starter code for working with the YouTube-8M dataset.