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alphafold

Open source code for AlphaFold.

ca-backbone-prediction

Deep Learning for Ca Backbone Prediction from High Resolution CryoEM Data

code2020materials

covermymeds_timeseries

The Erdős Institute 2020 Bootcamp Team Project

cryoem

Deep learning based cryoEM density map enhancement

deepemhancer

Deep learning for cryo-EM maps post-processing

deepsurvivalmachines

Deep Survival Machines - Fully Parametric Survival Regression

dpir

Plug-and-Play Image Restoration with Deep Denoiser Prior (IEEE TPAMI 2021) (PyTorch)

em-gan

EM-GAN is a computational tool, which enables capturing protein structure information from cryo-EM maps more effectively than raw maps. It is based on 3D deep learning. It is aimed to help protein structure modeling from cryo-EM maps.

entanglement-dynamics

Random unitary time evolution plus projective measurement in the one-dimensional quantum circuit model

entanglement-feature-learning

Entanglement Feature Learning

esm

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

fiddle

FlexIble Data-Driven pipeLinE – a preprocessing pipeline that transforms structured EHR data into feature vectors to be used with ML algorithms. https://doi.org/10.1093/jamia/ocaa139

geodiff

Implementation of GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation (ICLR 2022).

geoldm

Geometric Latent Diffusion Models for 3D Molecule Generation

gradient-boosting-survival-embeddings

Improving gradient boosting survival analysis with embeddings and debiased estimators

gru-d

Gated Recurrent Unit with a Decay mechanism for Multivariate Time Series with Missing Values

kaggle-panda-1st-place-solution

1st place solution for the Kaggle PANDA Challenge

lmetalsite

MetalSite: alignment-free metal ion-binding site prediction from protein sequence through pretrained language model and multi-task learning

m-ionic

Protein-metal ion interaction modeling

mdtranal

MD trajectories analysis

mimic3-benchmarks

Python suite to construct benchmark machine learning datasets from the MIMIC-III clinical database.

nab

The Numenta Anomaly Benchmark

nafnet

The state-of-the-art image restoration model without nonlinear activation functions.

neuralplexer

NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model

ngboost

Natural Gradient Boosting for Probabilistic Prediction

npc_gzip

numerical-berry-curvature

Numerical implementation of Berry curvature calculation for tight binding Hamiltonians

nwchem-1

NWChem: Open Source High-Performance Computational Chemistry

omegafold

OmegaFold Release Code