atfrank

SampleDock

Molecular design framework the merges generative AI and molecular docking

RNAPosers

A Set of Machine Learning Classifiers For RNA Containing Complexes

PyShifts

Pyshifts: A Pymol Plugin for Chemical Shift-Based Analysis of Biomolecular Ensembles

CS2Structure

Tools for extracting structural information from NMR chemical shift data

RNACavityMiner

Classifiers to Mine For Ligandable Binding Cavity in RNA

som

Self organizing Kohonen map in Python with periodic boundary conditions

SS2CS

Secondary Structure to Chemical Shift Predictors

acegen-open

Language models for drug discovery using torchrl

afmize

generate pseudo-AFM image file from structure file

Biophysics_435

bpRNA

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

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

GraphDesigningRNAs

ibm3202

Google Colab Tutorials for IBM3202

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

protein-dpo

Aligning protein generative models with experimental fitness

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

RNACavityMinerData

Description of the Data Used to Train and Test RNACavityMiner

RNAFeaturizer

Numerical featurization tools for RNA / RNA-ligand systems

RNAFMO

Tools for Applying FMO Calculations to RNA containing systems

SARS-CoV-2

Molecular Modeling for SARS-CoV-2 targets

SCAHA

Structure-Based Chemical Shift Assignment Method

SS-Sampler

A Simple Secondary Structure Sampling Tool

TOC

Manuscript Graphics

uCS-BME

Framework for Using Unassigned 2D NMR Chemical Shifts to Model RNA Secondary Structure