KULL-Centre / _2024_Cao_CALVADOSCOM
☆14Updated 3 months ago
Alternatives and similar repositories for _2024_Cao_CALVADOSCOM:
Users that are interested in _2024_Cao_CALVADOSCOM are comparing it to the libraries listed below
- ☆44Updated 2 months ago
- Convert coarse-grained protein structure to all-atom model☆37Updated 8 months ago
- ☆33Updated last month
- ☆69Updated 8 months ago
- ☆30Updated 4 months ago
- Input files for GROMACS tutorials written for the Journal of Physical Chemistry B☆17Updated 7 months ago
- ☆27Updated last year
- Analyse Nucleic Acids Structure and Simulations with baRNAba☆41Updated 11 months ago
- ☆39Updated 3 weeks ago
- EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling☆15Updated this week
- ☆52Updated last year
- An implementation of the AWSEM coarse-grained protein folding forcefield in OpenMM☆36Updated 7 months ago
- Simple protein-ligand complex simulation with OpenMM☆80Updated last year
- pyCHARMM tutorial, documentation and examples. This repository contains materials originally from the pyCHARMM Workshop run at the Univer…☆66Updated last month
- Improved protein complex prediction with AlphaFold-multimer by denoising the MSA profile☆65Updated 6 months ago
- Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2☆38Updated 9 months ago
- Trusted force field files for gromacs☆45Updated 4 months ago
- Codes and scripts for "An artificial intelligence accelerated virtual screening platform for drug discovery"☆47Updated 2 months ago
- Novel estimator for the change in stability upon point mutation in monomeric and multimeric proteins.☆41Updated 2 months ago
- Fully automated high-throughput MD pipeline☆55Updated 2 weeks ago
- ☆13Updated 2 years ago
- a universal framework for computational protein design☆35Updated last year
- ☆34Updated 10 months ago
- Generate intrinsically disordered peptide conformations via machine learning☆18Updated 9 months ago
- Modelling of Large Protein Complexes☆37Updated last year
- Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…☆56Updated last month
- An OpenMM plugin that implements the Alchemical Transfer Potential☆39Updated last year
- Calculation of interatomic interactions in molecular structures☆85Updated 6 months ago
- A benchmark for 3D biomolecular structure prediction models☆52Updated 2 months ago