drugdiscovery

There are 9 repositories under drugdiscovery topic.

  • octavian-ganea/equidock_public

    EquiDock: geometric deep learning for fast rigid 3D protein-protein docking

    Language:Roff23482358

  • huankoh/PSICHIC

    PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence data

    Language:Jupyter Notebook881911

  • QizhiPei/SSM-DTA

    SSM-DTA: Breaking the Barriers of Data Scarcity in Drug-Target Affinity Prediction (Briefings in Bioinformatics 2023)

    Language:Python494108

  • 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.

    Language:Python3100

  • 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.

    Language:Jupyter Notebook2000

  • danielSoler93/DrugDiscoveryAI

    Gather of AI scripts for drug discovery. Django based

    Language:Python2202

  • francescopatane96/Bioactivity-prediction-with-ML

    Create a bioactivity prediction model using molecular descriptors (PADEL) and supervised machine learning (ML).

    Language:Jupyter Notebook2102

  • williamhuang3/ml-based-drug-identifier

    Bioinformatics/AI Drug Discovery Data Science Project

    Language:Python1100

  • MolinDiscovery/MDRMF

    Language:Jupyter Notebook0100