KULL-Centre / _2024_Cao_CALVADOSCOMLinks
☆16Updated 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
Sorting:
- ☆67Updated last month
- ☆68Updated last year
- Convert coarse-grained protein structure to all-atom model☆40Updated last month
- A series of scripts that facilitate the prediction of protein structures in multiple conformations using AlphaFold2☆96Updated last year
- AutoDock CrankPep for peptide and disordered protein docking☆51Updated 4 years ago
- Material from papers from KULL centre☆69Updated last year
- ☆33Updated 9 months ago
- Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…☆83Updated 3 weeks ago
- ☆43Updated 3 months ago
- Analyse Nucleic Acids Structure and Simulations with baRNAba☆44Updated last year
- ☆171Updated last week
- EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling☆25Updated this week
- Library for computing dynamic non-covalent contact networks in proteins throughout MD Simulation☆122Updated last year
- ☆70Updated 5 months ago
- Simple protein-ligand complex simulation with OpenMM☆85Updated last year
- Scoring function for interprotein interactions in AlphaFold2 and AlphaFold3☆63Updated 3 months ago
- ☆42Updated 2 weeks ago
- Generate intrinsically disordered peptide conformations via machine learning☆23Updated last year
- ☆50Updated 3 weeks ago
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆51Updated last week
- An automatic workflow to perform MM/GB(PB)SA calculations from force field building, and structure optimization to free energy calculatio…☆112Updated 8 months ago
- Input files for GROMACS tutorials written for the Journal of Physical Chemistry B☆20Updated 11 months ago
- ☆40Updated last year
- A simplified implementation of DSSP algorithm for PyTorch and NumPy☆88Updated last month
- CHAPERONg: An automated pipeline for GROMACS MD simulations and trajectory analyses☆49Updated 6 months ago
- Open source code for AlphaFold.☆39Updated 2 years ago
- pyCHARMM tutorial, documentation and examples. This repository contains materials originally from the pyCHARMM Workshop run at the Univer…☆71Updated 5 months ago
- A benchmark for 3D biomolecular structure prediction models☆59Updated 2 months ago
- mdml: Deep Learning for Molecular Simulations☆43Updated 2 months ago
- Quick mapping of Uniprot sequences to PDB structures☆32Updated 3 months ago