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huggingmolecules

ifp

A molecule generative model used interaction fingerprint (docking pose) as constraints.

infgcn-pytorch

Official implementation of the NeurIPS 23 spotlight paper of ♾️InfGCN♾️.

infograph

Official code for "InfoGraph: Unsupervised and Semi-supervised Graph-Level Representation Learning via Mutual Information Maximization" (ICLR 2020, spotlight)

informed_ml_protein_desing

A machine-learning package for navigating combinatorial protein fitness landscapes.

jerkwin.github.io

km_prediction

km_prediction_function

language_modeling_via_stochastic_processes

Language modeling via stochastic processes. Oral @ ICLR 2022.

learning-computation-with-chenggong

learnit

lieconv

lihq

Long-Inference, High Quality Synthetic Speaker

lillymol

LillyMol Public Code

localcolabfold

ColabFold on your local PC

localretro

Retrosynthesis Prediction by Learning the Local Chemical Reactivity with Nonlocal Attention

machine-learning-for-photovoltaic-material-property-prediction

Multi-layer perceptron model for photo-voltaic material properties prediction.

machine-learning-for-proteins

Listing of papers about machine learning for proteins.

mavedb

MaveDB database web application

mcmg

MCMG_V1

md_visualize_dulvy

some scripts for analysis of MD and CADD. And some tutorials.

megan

Code for "Molecule Edit Graph Attention Network: Modeling Chemical Reactions as Sequences of Graph Edits"

melgan-neurips

GAN-based Mel-Spectrogram Inversion Network for Text-to-Speech Synthesis

merit

A PyTorch implementation of "Multi-Scale Contrastive Siamese Networks for Self-Supervised Graph Representation Learning", IJCAI-21

mhn-react

Modern Hopfield Network (MHN) for template relevance prediction

mine-mutual-information-neural-estimation-

A pytorch implementation of MINE(Mutual Information Neural Estimation)

mine_pytorch

MINE: Mutual Information Neural Estimation in pytorch (unofficial)

mmseqs2

MMseqs2: ultra fast and sensitive search and clustering suite

mmtf-cpp

The pure C++ implementation of the MMTF API, decoder and encoder.

molclr

Implementation of "Molecular Contrastive Learning of Representations via Graph Neural Networks" in PyTorch Geometric