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acegen-open

Language models for drug discovery using torchrl

afmize

generate pseudo-AFM image file from structure file

afsample2

Modelling protein conformational landscape with Alphafold

alphaflow

AlphaFold Meets Flow Matching for Generating Protein Ensembles

arena

biophysics_435

bprna

bpRNA: Large-scale Annotation and Analysis of RNA Secondary Structure

cavityposer

Mining For Bound-Like Conformations of RNA Using a Binding Cavity Screening Approach.

colabdesign

Making Protein Design accessible to all via Google Colab!

correlationplus

A Python package to calculate, visualize and analyze correlations maps of proteins.

cs-annotate

Chemical Shift-Based Annotation of RNA Structure

cs2structure

Tools for extracting structural information from NMR chemical shift data

fingernat

Software for detecting non-covalent interactions formed within complexes of nucleic acids with ligands.

fingernat-ml

Data accompanying the manuscript on SIFts- and ML-based methods in Virtual Screening for RNA binding ligands.

global_quality_assessment

analysis that accompanies our manuscript on assessing the global quality of RNA NMR structures using NMR chemical shifts

graphdesigningrnas

haddock3

Official repo of the modular BioExcel version of HADDOCK

hessfit

ibm3202

Google Colab Tutorials for IBM3202

larmorca

Cα-based Protein Backbone Chemical Shift Predictor

larmord_new

RNA and now Protein Chemical Shifts Predictor

liquid_time_constant_networks

Code Repository for Liquid Time-Constant Networks (LTCs)

metallo

A Machine Learning Tool for Classifying Magnesium Binding Sites in RNA

moletools

nmr

Functions for the Analysis and Comparison of NMR Data

pcasa

Protein CA-based Solvent Accessibilities (PCASA)

protein-dpo

Aligning protein generative models with experimental fitness

proteinmpnn

Code for the ProteinMPNN paper

pyrna

Collection of Python functions for manipulating 2D Structures of RNA

pyrosetta.notebooks

Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and design