KULL-Centre / CALVADOSLinks
☆66Updated last week
Alternatives and similar repositories for CALVADOS
Users that are interested in CALVADOS are comparing it to the libraries listed below
Sorting:
- ☆68Updated 11 months ago
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆48Updated 2 weeks ago
- ☆42Updated last month
- Calculation of interatomic interactions in molecular structures☆96Updated 9 months ago
- ☆16Updated 2 months ago
- ☆54Updated 2 years ago
- ☆32Updated 8 months ago
- Convert coarse-grained protein structure to all-atom model☆39Updated 2 weeks ago
- EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling☆25Updated this week
- Force Fields☆63Updated 4 months ago
- Input files for GROMACS tutorials written for the Journal of Physical Chemistry B☆20Updated 11 months ago
- Simple protein-ligand complex simulation with OpenMM☆85Updated last year
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆34Updated last year
- Analyse Nucleic Acids Structure and Simulations with baRNAba☆44Updated last year
- ☆32Updated last year
- A python toolkit for analysing membrane protein-lipid interactions.☆63Updated 2 years ago
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆48Updated last week
- Software for the prediction of DEER and PRE data from conformational ensembles.☆12Updated last month
- The public versio☆58Updated 2 years ago
- Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…☆82Updated 2 months ago
- Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2☆39Updated last year
- Modeling with limited data☆58Updated 7 months ago
- A python module to plot secondary structure schemes☆25Updated last year
- mdml: Deep Learning for Molecular Simulations☆42Updated last month
- Analysis of non-covalent interactions in MD trajectories☆58Updated 5 months ago
- pyCHARMM tutorial, documentation and examples. This repository contains materials originally from the pyCHARMM Workshop run at the Univer…☆70Updated 5 months ago
- ☆40Updated last year
- Material from papers from KULL centre☆69Updated last year
- ☆61Updated last month
- Tutorials and data necessary to reproduce the results of publication Machine Learning Coarse-Grained Potentials of Protein Thermodynamics☆84Updated 4 months ago