PIAWeb - a graphical web interface for PIA
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Updated
Nov 24, 2022 - Python
PIAWeb - a graphical web interface for PIA
Inspect what phenotypes are associated with a disease
This Streamlit app allows you to search for the most "druglike" molecules basing on the "Rule of five"
Automated processing of chemoproteomics data
Scaffolding homo sapiens enzymes inhibitors
FedTorchDrug: A Federated Learning System and Benchmark based on TorchDrug
This repository is dedicated to the exploration and development of machine learning models for drug discovery. It serves as a platform for storing my understandings, research findings, and the progression of models aimed at identifying potential drugs for various diseases.
miscellaneous of python scripts for drug discovery
Deep Learning for Chem
🍪 A cookiecutter template for the Laboratory of Artifical Chemical Intelligence (LIAC) at EPFL.
MINDPROT: Markov Inside for Drugs and Proteins
exploring latent space of MoLeR AI for drug discovery
A pipeline to predict risk genes, implicated cell types and drugs for repurposing based on known risk genes (derived from GWAS) for complex traits.
Code to retrieve drugs against a desired target using the ChEMBL database API
Predicting drug–target binding affinity through molecule representation block based on multi-head attention and skip connection
Implementation of DiffDock-Pocket: Diffusion for Pocket-Level Docking with Side Chain Flexibility
PyMOL extension to map a protein pocket, generated from PockDrug, to the full protein structure.
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