ellimilial

HyperAttentionDTI: improving drug–protein interaction prediction by sequence-based deep learning with attention mechanism. This repository contains the source code and the data.

Language:Python3500

aim

Aim 💫 — An easy-to-use & supercharged open-source experiment tracker.

Language:PythonApache-2.0517500

maxsmi

maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.

Language:Jupyter NotebookMIT2900

padelpy

A Python wrapper for PaDEL-Descriptor software

Language:PythonMIT18000

shap

A game theoretic approach to explain the output of any machine learning model.

Language:Jupyter NotebookMIT2265700

BetterJSONStorage

Better JSONStorage for tinyDB

Language:PythonMIT3300

ColossalAI

Making large AI models cheaper, faster and more accessible

Language:PythonApache-2.03871900

TxGNN

TxGNN: Zero-shot prediction of therapeutic use with geometric deep learning and clinician centered design

Language:Jupyter NotebookMIT10800

B3DB

A large benchmark dataset, Blood-Brain Barrier Database (B3DB), complied from 50 published resources.

Language:Jupyter NotebookCC0-1.04200

meilisearch

A lightning-fast search API that fits effortlessly into your apps, websites, and workflow

Language:RustMIT4686900

graphein

Protein Graph Library

Language:Jupyter NotebookMIT102200

dockstring

A Python package for molecular docking with an extensive, highly-curated dataset and a set of realistic benchmark tasks for drug discovery.

Language:PythonApache-2.015500

indra_cogex

INDRA Context Graph Extension

Language:Jupyter NotebookBSD-2-Clause700

prefect

Prefect is a workflow orchestration framework for building resilient data pipelines in Python.

Language:PythonApache-2.01604500

watchfiles

Simple, modern and fast file watching and code reload in Python.

Language:PythonMIT173600

datamol

Molecular Processing Made Easy.

Language:PythonApache-2.045900

deepchem

Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

Language:PythonMIT542900

biomedical

Tools for curating biomedical training data for large-scale language modeling

Language:Python45400

dubportal

An integrative resource for deubiquitinating enzymes (DUBs) served at https://labsyspharm.github.io/dubportal

Language:HTMLCC-BY-4.0300

reach

Reach Biomedical Information Extraction

Language:ScalaNOASSERTION9700

clinical-trial-outcome-prediction

benchmark dataset and Deep learning method (Hierarchical Interaction Network, HINT) for clinical trial approval probability prediction, published in Cell Patterns 2022.

Language:Python10000

biowordlists

Biomedical wordlists (of drugs, genes, etc) for several text mining projects

Language:PythonMIT1800

kindred

A Python biomedical relation extraction package that uses a supervised approach (i.e. needs training data).

Language:PythonMIT15500