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3dlinker

An E(3) Equivariant Variational Autoencoder for Molecular Linker Design

algorithms

Minimal examples of data structures and algorithms in Python

alphamissense

amromics

Antimicrobial Resistance Analysis

awesome-tensorflow

TensorFlow - A curated list of dedicated resources http://tensorflow.org

capsim

chemprop

Message Passing Neural Networks for Molecule Property Prediction

chroma

A generative model for programmable protein design

conplex

Adapting protein language models and contrastive learning for highly-accurate drug-target interaction prediction.

conplex_dev

crem

CReM: chemically reasonable mutations framework

cs231n.github.io

Public facing notes page

d2

Speed virtual screening by 50X

d2l-en

Interactive deep learning book with code, math, and discussions. Available in multi-frameworks.

datamol

Molecular Manipulation Made Easy.

dd_protocol

Official repository for the Deep Docking protocol

deephops

source code for deppHop

deepmd-kit

A deep learning package for many-body potential energy representation and molecular dynamics

deepprotacs

delinker

dgl-lifesci

Python package for graph neural networks in chemistry and biology

dockstring

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

dpgen

The deep potential generator

drlinker

equibind

EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein

evo

DNA foundation modeling from molecular to genome scale

exmol

Explainer for black box models that predict molecule properties

fsdl-text-recognizer-2021-labs

Complete deep learning project developed in Full Stack Deep Learning, Spring 2021

google-research

Google Research

gpt_index

GPT Index is a project consisting of a set of data structures designed to make it easier to use large external knowledge bases with LLMs.