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3d_scaffold

adage

This is the repository for ADAGE (Analysis using Denoising Autoencoders for Gene Expression)

alphafold

Open source code for AlphaFold.

alphafold2

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

amecovdock

amencovdock

apbs-pdb2pqr

APBS and PDB2PQR software

apollo1060

Data and models (with prediction scripts) used in publications related to Apollo1060 platform

bayesgan

Tensorflow code for the Bayesian GAN (https://arxiv.org/abs/1705.09558) (NIPS 2017)

bayesian-inference

blues

Python package for molecular bond order estimation via natural population analysis.

boltzmann

Simulation software for biochemical systems that use mass action kinetics based on maximum entropy production.

caffe

Caffe: a fast open framework for deep learning.

capsnet_on_pdbsecstruct

chainer-chemistry

Chainer Chemistry: A Library for Deep Learning in Biology and Chemistry

cheminfor

Generate Classfication RF,NB and SVM Models from SMILES data

chemputersoftware

Software for running the Chemputer in association with the supporting publication in Science

cobrame

A COBRApy extension for genome-scale models of metabolism and expression (ME-models)

compmolnwchem

compmolnwchem_thermo

compoundsetutils

computation-thru-dynamics

Understanding computation in artificial and biological recurrent networks through the lens of dynamical systems.

confold2

Improved ab initio protein structure reconstruction

covid19ddc

Repository for COVID19 drug discovery consortium

d-gex

Deep learning for gene expression inference

darwin

An open-source project dedicated to build foundational large language model for natural science, mainly in physics, chemistry and material science.

data.gov

Data.gov source code and issue tracker nkkchem

deep-review

A collaboratively written review paper on deep learning, genomics, and precision medicine

deepchem

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

deepfri

Deep functional residue identification