JosieHong

ollama

Get up and running with Llama 2, Mistral, and other large language models locally.

DIG

A library for graph deep learning research

noise2noise

Noise2Noise: Learning Image Restoration without Clean Data - Official TensorFlow implementation of the ICML 2018 paper

deeplift

Public facing deeplift repo

ocp

Open Catalyst Project's library of machine learning methods for catalysis

Uni-Mol

Official Repository for the Uni-Mol Series Methods

awesome-protein-representation-learning

Awesome Protein Representation Learning

torchmd

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

hgraph2graph

Hierarchical Generation of Molecular Graphs using Structural Motifs

ReLeaSE

Deep Reinforcement Learning for de-novo Drug Design

xyz2mol

Converts an xyz file to an RDKit mol object

awesome-small-molecule-ml

A curated list of resources for machine learning for small-molecule drug discovery

awesome-explanatory-supervision

List of relevant resources for machine learning from explanatory supervision

ChatMol

ChatGPT in PyMOL now!

casanovo

De Novo Mass Spectrometry Peptide Sequencing with a Transformer Model

data_efficient_grammar

[ICLR 2022] Data-Efficient Graph Grammar Learning for Molecular Generation

Mole-BERT

[ICLR 2023] "Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules"

Molformer

ms-pred

Predicting tandem mass spectra from molecules

Recorrupted-to-Recorrupted-Unsupervised-Deep-Learning-for-Image-Denoising

DivNoising

DivNoising is an unsupervised denoising method to generate diverse denoised samples for any noisy input image. This repository contains the code to reproduce the results reported in the paper https://openreview.net/pdf?id=agHLCOBM5jP

danifojo-2018-repeatrnn

Comparing Fixed and Adaptive Computation Time for Recurrent Neural Networks

BUDDY

Bottom-up MS/MS interrogation & Experiment-specific global annotation

Geo-DEG

[ICML 2023] Hierarchical Grammar-Induced Geometry for Data-Efficient Molecular Property Prediction

graff-ms

Efficiently predicting high resolution mass spectra with graph neural networks

msbuddy

a python package for molecular formula analysis in MS-based small molecule studies

Spec2Mol

3DMolMS

[Bioinformatics] 3DMolMS: prediction of tandem mass spectra from 3D molecular conformations

Union-under-Duress

New Android supply chain attack surface

BUDDY_source

C# source code of BUDDY