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Generative Flow Networks

Python 683 79 Updated Feb 28, 2023

Geometric deep learning method to predict protein binding interfaces from a protein structure.

Jupyter Notebook 161 27 Updated Oct 11, 2023

Neural relational inference for interacting systems - pytorch

Python 772 166 Updated Nov 19, 2019

Neural relational inference for molecular dynamics simulations

Python 61 25 Updated May 30, 2023

The official implementation of the Molecule Attention Transformer.

Python 254 62 Updated Apr 1, 2020

[MICCAI'21 & MICCAI'20] A Codebase for Universal Lesion Detection (DeepLesion SOTA)

Python 49 11 Updated Nov 25, 2021

End-To-End Molecular Dynamics (MD) Engine using PyTorch

Python 710 87 Updated Apr 21, 2026

DeepLesion

Python 23 1 Updated Feb 28, 2020
Python 11 Updated Jun 5, 2021

ODIR-2019: Ocular Disease Intelligent Recognition is a project leveraging state-of-the-art deep learning architectures to analyze and classify ocular diseases based on medical imaging data. This re…

Jupyter Notebook 73 27 Updated Feb 9, 2025

Solving CheXNet using a DenseNet121 in Pytorch

Jupyter Notebook 13 11 Updated Sep 30, 2019

UniRep model, usage, and examples.

Python 365 95 Updated Mar 1, 2026

Evolutionary Scale Modeling (esm): Pretrained language models for proteins

Python 4,120 797 Updated Feb 7, 2024

This repository has implementation and tutorial for Deep Belief Network

Jupyter Notebook 103 37 Updated Nov 13, 2018

Pytorch Repo for DeepGCNs (ICCV'2019 Oral, TPAMI'2021), DeeperGCN (arXiv'2020) and GNN1000(ICML'2021): https://www.deepgcns.org

Python 1,188 154 Updated Jul 31, 2022

bert-loves-chemistry: a repository of HuggingFace models applied on chemical SMILES data for drug design, chemical modelling, etc.

Jupyter Notebook 496 75 Updated Oct 27, 2024

To eventually become an unofficial Pytorch implementation / replication of Alphafold2, as details of the architecture get released

Python 1,631 264 Updated Oct 29, 2022

DL Project concerning the ODIR-5K dataset

Jupyter Notebook 6 2 Updated Jan 20, 2021
Python 150 41 Updated Jun 6, 2021

ProtTrans is providing state of the art pretrained language models for proteins. ProtTrans was trained on thousands of GPUs from Summit and hundreds of Google TPUs using Transformers Models.

Jupyter Notebook 1,310 167 Updated May 22, 2025

Simple HTML/Javascript viewer for examing SDF files with data

JavaScript 8 Updated Aug 15, 2017
Jupyter Notebook 3 Updated Jun 8, 2020

TCGA Benchmark Tasks for Clinical Attribute Prediction based on Genome

Jupyter Notebook 14 5 Updated Mar 16, 2021
Python 3 1 Updated Feb 8, 2022

Weakly Supervised Learning for Findings Detection in Medical Images

Python 325 109 Updated Jun 21, 2022

Facebook AI Research Sequence-to-Sequence Toolkit written in Python.

Python 32,233 6,680 Updated Sep 30, 2025

VirtualFlow for Virtual Screening

Shell 197 71 Updated Aug 31, 2025

A project to enable optimization of molecules by transforming them to and from a continuous representation.

Python 156 52 Updated Mar 17, 2017

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

Python 6,798 2,241 Updated Jun 9, 2026
Python 34 13 Updated Jan 30, 2018