sosnicklab / upside2-mdLinks
☆27Updated this week
Alternatives and similar repositories for upside2-md
Users that are interested in upside2-md are comparing it to the libraries listed below
Sorting:
- Convert coarse-grained protein structure to all-atom model☆48Updated 7 months ago
- ☆19Updated 9 months ago
- Coarse-grained molecular dynamics for protein physics. NOTE: this has been superseded by Upside 2: https://github.com/sosnicklab/upside2-…☆25Updated 3 years ago
- ☆80Updated this week
- ☆61Updated last month
- Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…☆91Updated 6 months ago
- ☆70Updated last year
- Force fields in various formats☆26Updated last year
- pyCHARMM tutorial, documentation and examples. This repository contains materials originally from the pyCHARMM Workshop run at the Univer…☆72Updated this week
- Statistical models for biomolecular dynamics☆41Updated 8 months ago
- Trusted force field files for gromacs☆67Updated last year
- ☆65Updated 2 months ago
- Library for computing dynamic non-covalent contact networks in proteins throughout MD Simulation☆137Updated 2 years ago
- Tutorials and data necessary to reproduce the results of publication Machine Learning Coarse-Grained Potentials of Protein Thermodynamics☆91Updated 11 months ago
- EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling☆31Updated last week
- Force Fields☆66Updated 11 months ago
- ☆34Updated last year
- Simple protein-ligand complex simulation with OpenMM☆91Updated 2 years ago
- Material from papers from KULL centre☆71Updated last year
- Toolkit for free-energy calculation setup/analysis and biomolecular structure handling☆167Updated 5 months ago
- Modeling with limited data☆60Updated last month
- Generate intrinsically disordered peptide conformations via machine learning☆24Updated last year
- A pocket volume analyzer for use in protein modeling.☆59Updated 3 years ago
- Python implementation of Dynamical Network Analysis☆16Updated 5 months ago
- A Python package to generate free energy landscape (FEL) of molecular dynamics (MD) trajectory obtained from GROMACS. It also extracts th…☆14Updated 9 months ago
- The public versio☆78Updated 2 years ago
- a package to simulate fluid surfaces and biomembranes☆33Updated 3 weeks ago
- Interactive molecular dynamics based model building into low-resolution crystallographic and cryo-EM maps☆40Updated 5 months ago
- some scripts for analysis of MD and CADD. And some tutorials.☆61Updated last year
- An application for configuring and running simulations with OpenMM☆76Updated 2 months ago