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3d-vq-vae-2

3D VQ-VAE-2 for high-resolution CT scan synthesis

3d_scaffold

3dshape2vecset

4d-chains

4D-CHAINS software for protein NMR assignment

a-cnn

adaptivediffgrid_ex

af_cluster

Predict multiple protein conformations using sequence clustering and AlphaFold2.

aitom

AI for tomography

alphafoldv2.2.0

Open source code for AlphaFold.

alphamap

An open-source Python package for the visual annotation of proteomics data with sequence specific knowledge.

alphapulldown

alphascreen

Screen interactions with AlphaFold-Multimer

ankh

Ankh: Optimized Protein Language Model

appraise

Rank binders by structure modeling

apt-point-cloud

Observe the APT point cloud in your browser.

apt-tools

Python tools for importing, processing [and analysing] Atom Probe Tomography (APT) data.

apt_machine_learning

artiax

ArtiaX is an open-source extension of the molecular visualisation program ChimeraX.

atom-probe-tomgrophy

Crystallographic Indexing of Atom Probe Datasets Using Machine-Learning Algorithms

atom-probe-tomography-steel

Overview of Atom Probe Tomography (APT) and using APT with DOW steel

autorotlib

bcl

The Biochemical Library (BCL) integrates traditional small molecule cheminformatics tools with machine learning-based quantitative structure-activity/property relationship (QSAR/QSPR) modeling. The cheminformatics toolkit contains customizable tools for the design, processing, and analysis of small molecules for computer-aided drug discovery.

bet

Bioassembly Evaluation Tool

beta-lac-protein-design

Analysis scripts and data for the manuscript "Simultaneous Enhancement of Multiple Functional Properties Using Evolution-informed Protein Design"

binding-ddg-predictor

open source repository

bioautomated

Automated machine learning for analyzing, interpreting, and designing biological sequences

biogpt

blik

Python tool for visualising and interacting with cryo-ET and subtomogram averaging data.

capla

CAPLA: improved prediction of protein-ligand binding affinity by a deep learning approach based on a cross-attention mechanism

cascade

CAlculation of NMR using Deep LEarning