atfrank/boltz Fork of jwohlwend/boltz

Official repository for the Boltz-1 biomolecular interaction model

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atfrank/FeNNol Fork of thomasple/FeNNol

Force-field-enhanced Neural Networks optimized library

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atfrank/uCS-BME

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

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atfrank/TOC

Manuscript Graphics

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atfrank/SS2CS

Secondary Structure to Chemical Shift Predictors

Language: Python - Size: 51.7 MB - Last synced at: over 1 year ago - Pushed at: almost 4 years ago - Stars: 1 - Forks: 0

atfrank/SS-Sampler

A Simple Secondary Structure Sampling Tool

Language: Python - Size: 1.41 MB - Last synced at: over 1 year ago - Pushed at: almost 4 years ago - Stars: 0 - Forks: 0

atfrank/som Fork of alexarnimueller/som

Self organizing Kohonen map in Python with periodic boundary conditions

Language: Python - Size: 7.56 MB - Last synced at: over 1 year ago - Pushed at: almost 4 years ago - Stars: 1 - Forks: 0

atfrank/SARS-CoV-2

Molecular Modeling for SARS-CoV-2 targets

Size: 56.3 MB - Last synced at: over 1 year ago - Pushed at: over 5 years ago - Stars: 0 - Forks: 1

atfrank/RNAPoser

Machine-Learning Pose Classifier for RNA-Ligand Complexes

Language: C++ - Size: 933 MB - Last synced at: over 1 year ago - Pushed at: about 6 years ago - Stars: 0 - Forks: 0

atfrank/RNAFMO

Tools for Applying FMO Calculations to RNA containing systems

Language: Shell - Size: 596 MB - Last synced at: over 1 year ago - Pushed at: about 3 years ago - Stars: 0 - Forks: 0

atfrank/RNAFeaturizer Fork of karoka/RNAFeaturizer

Numerical featurization tools for RNA / RNA-ligand systems

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atfrank/MoleTools

Language: C++ - Size: 186 MB - Last synced at: over 1 year ago - Pushed at: almost 9 years ago - Stars: 0 - Forks: 0

atfrank/RNACavityMinerData

Description of the Data Used to Train and Test RNACavityMiner

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atfrank/PyRosetta.notebooks Fork of RosettaCommons/PyRosetta.notebooks

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

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atfrank/RNA-NMR-Decoys

Atomistic Decoy Set For RNAs in PDB that were solved using NMR, and for which NMR chemical shift data is available.

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atfrank/PCASA

Protein CA-based Solvent Accessibilities (PCASA)

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atfrank/nmR

Functions for the Analysis and Comparison of NMR Data

Language: R - Size: 5.91 MB - Last synced at: over 1 year ago - Pushed at: over 6 years ago - Stars: 0 - Forks: 0

atfrank/afmize Fork of ToruNiina/afmize

generate pseudo-AFM image file from structure file

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atfrank/CavityPoser Fork of karoka/CavityPoser

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

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atfrank/ibm3202 Fork of pb3lab/ibm3202

Google Colab Tutorials for IBM3202

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atfrank/GraphDesigningRNAs Fork of HarveyYan/GraphDesigningRNAs

Size: 9.87 MB - Last synced at: over 1 year ago - Pushed at: almost 5 years ago - Stars: 0 - Forks: 0

atfrank/bpRNA Fork of padidehdanaee/bpRNA

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

Size: 333 MB - Last synced at: over 1 year ago - Pushed at: almost 4 years ago - Stars: 0 - Forks: 0

atfrank/correlationplus Fork of tekpinar/correlationplus

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

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atfrank/liquid_time_constant_networks Fork of raminmh/liquid_time_constant_networks

Code Repository for Liquid Time-Constant Networks (LTCs)

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atfrank/Biophysics_435

Language: Jupyter Notebook - Size: 33.8 MB - Last synced at: over 1 year ago - Pushed at: over 4 years ago - Stars: 0 - Forks: 1

atfrank/CS-Annotate

Chemical Shift-Based Annotation of RNA Structure

Language: Jupyter Notebook - Size: 45.7 MB - Last synced at: over 1 year ago - Pushed at: almost 4 years ago - Stars: 0 - Forks: 1

atfrank/RNACavityMiner

Classifiers to Mine For Ligandable Binding Cavity in RNA

Language: Python - Size: 257 MB - Last synced at: over 1 year ago - Pushed at: over 1 year ago - Stars: 1 - Forks: 2

atfrank/SampleDock

Molecular design framework the merges generative AI and molecular docking

Language: Jupyter Notebook - Size: 83.8 MB - Last synced at: over 1 year ago - Pushed at: over 3 years ago - Stars: 5 - Forks: 1

atfrank/RNAPosers

A Set of Machine Learning Classifiers For RNA Containing Complexes

Language: C++ - Size: 717 MB - Last synced at: over 1 year ago - Pushed at: about 3 years ago - Stars: 5 - Forks: 3

atfrank/PyShifts

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

Language: Python - Size: 51.9 MB - Last synced at: over 1 year ago - Pushed at: about 4 years ago - Stars: 4 - Forks: 0

atfrank/LarmorD_New

RNA and now Protein Chemical Shifts Predictor

Language: C++ - Size: 1.2 GB - Last synced at: over 1 year ago - Pushed at: over 3 years ago - Stars: 0 - Forks: 1

atfrank/SCAHA

Structure-Based Chemical Shift Assignment Method

Language: TeX - Size: 164 MB - Last synced at: over 1 year ago - Pushed at: about 4 years ago - Stars: 0 - Forks: 0

atfrank/Metallo

A Machine Learning Tool for Classifying Magnesium Binding Sites in RNA

Language: C++ - Size: 154 MB - Last synced at: over 1 year ago - Pushed at: about 4 years ago - Stars: 0 - Forks: 0

atfrank/PyRNA

Collection of Python functions for manipulating 2D Structures of RNA

Language: Jupyter Notebook - Size: 4.72 MB - Last synced at: over 1 year ago - Pushed at: over 4 years ago - Stars: 0 - Forks: 0

atfrank/CS2Structure

Tools for extracting structural information from NMR chemical shift data

Language: R - Size: 4.93 MB - Last synced at: over 1 year ago - Pushed at: almost 5 years ago - Stars: 2 - Forks: 1

atfrank/LARMORCA

Cα-based Protein Backbone Chemical Shift Predictor

Language: C++ - Size: 50.5 MB - Last synced at: over 1 year ago - Pushed at: almost 11 years ago - Stars: 1 - Forks: 0

atfrank/global_quality_assessment

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

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