drugdiscovery

There are 1 repository under drugdiscovery topic.

octavian-ganea / equidock_public
EquiDock: geometric deep learning for fast rigid 3D protein-protein docking
geometry proteins protein-protein-interaction docking graphneuralnetwork deeplearning equivariant-network equivariance equivariant-representations drugdiscovery drug-discovery
Language:Roff 227
huankoh / PSICHIC
PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence data
binding-affinity drugdiscovery functional-effects protein-ligand-interactions
Language:Jupyter Notebook 57
QizhiPei / SSM-DTA
SSM-DTA: Breaking the Barriers of Data Scarcity in Drug-Target Affinity Prediction (Briefings in Bioinformatics 2023)
attention-mechanism deep-learning drug-target-affinity drug-target-interaction drugdiscovery fairseq multitask-learning protein pytorch semi-supervised-learning
Language:Python 45
ariadnecs / imersao-dados-desafio-final
Este projeto foi desenvolvido durante a Imersão Dados 3 - 2021. Nesta imersão aprendemos sobre o ramo de drug discovery e Machine Learning. Trabalhamos com bases de dados disponibilizados pelo Laboratory innovation science at Harvard em um desafio no kaggle.
alura imersaodados machine-learning drugdiscovery
Language:Jupyter Notebook 2
danielSoler93 / DrugDiscoveryAI
Gather of AI scripts for drug discovery. Django based
webserver django drugdiscovery ai generative-model rnn vae
Language:Python 2
devinkeane / sPyderMIM
Constructs and analyzes genotype/phenotype networks using a list of OMIM phenotypic MIM numbers as input; ranks and clusters disease associated gene sets; runs enrichment analysis on gene sets for mechanism and drug discovery.
bioinformatics genomics omim-api genotype-phenotype-maps network-analysis networkx drug-discovery drug-repurposing drugdiscovery
Language:Python 2
francescopatane96 / Bioactivity-prediction-with-ML
Create a bioactivity prediction model using molecular descriptors (PADEL) and supervised machine learning (ML).
bioinformatics biology biotechnology chemistry chemoinformatics datascience deep-learning discovery drug drugdesign drugdiscovery machine-learning machinelearning machinelearning-python pharmacology pharmacy randomforest regression
Language:Jupyter Notebook 1
williamhuang3 / ml-based-drug-identifier
Bioinformatics/AI Drug Discovery Data Science Project
ai bioinformatics computational-biology data-science drugdiscovery
Language:Python 1

drugdiscovery

octavian-ganea / equidock_public

huankoh / PSICHIC

QizhiPei / SSM-DTA

ariadnecs / imersao-dados-desafio-final

danielSoler93 / DrugDiscoveryAI

devinkeane / sPyderMIM

francescopatane96 / Bioactivity-prediction-with-ML

williamhuang3 / ml-based-drug-identifier