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dimspy

Python package for data processing of direct-infusion mass spectrometry-based metabolomics and lipidomics data

ding

Deep learning enabled for INorganic material Generator (https://doi.org/10.26434/chemrxiv.12312260.v1)

discus

DiSCuS - Database System for Compound Selection

disease_gene_prioritization_gcn

PGCN: Disease gene prioritization by disease and gene embedding through GCN

diversitynet

A molecule generation benchmarking platform

diversitynet-a-collaborative-benchmark-for-generative-ai-models-in-chemistry

GitHub of the DiversityNet project

django-rdkit

djangoblog

🍺基于Django的博客系统

dl4chem-mgm

dl4moleculargraph

Literature of deep learning for graphs in Chemistry and Biology

dmol-book

Deep learning for molecules and materials book

dna2vec

dna2vec: Consistent vector representations of variable-length k-mers

dncon2

Deep convolutional neural networks for protein contact map prediction

dnn-dtis

DNN-DTIs: improved drug-target interactions prediction using XGBoost feature selection and deep neural network

dock6

docker-rdkit

Lightweight RDKit images for production deployment

docker-solubility

Docker for reproducing solubility model

docking-based-vs

Docking-Based VS

docking-scripts

python scripts for processing surflex docking output

docking-validation

Validation studies for docking related studies

dockingml

A package for MD, Docking and Machine learning drug discovery pipeline

dockit

dockma

A screening pipeline studio using Autodock vina

docproduct

Medical Q&A with Deep Language Models

dpi

Drug-protein interaction prediction using graph neural networks.

dracon

drkg

A knowledge graph and a set of tools for drug repurposing

drug-class

comparing drug classification methods

drug-computing

Educational materials for, and related to, UC Irvine's Drug Discovery Computing Techniques course (PharmSci 175/275), currently taught by David Mobley.

drug-discovery-feature-selection