Stars
7
Forks
0
Language
Julia
Last Updated
Nov 24, 2023
Similar Repos
| Repo | Language | Stars | Description | Updated At |
|---|---|---|---|---|
| Python | 9 | model builder for molecular dynamics simulations | Apr 20, 2023 | |
| Fortran | 116 | Packmol - Initial configurations for molecular dynamics simulations | Nov 26, 2022 | |
| Python | 25 | Neural relational inference for molecular dynamics simulations | May 04, 2023 | |
| TeX | 22 | Enhanced sampling methods for molecular dynamics simulations | May 24, 2023 | |
| C++ | 3 | Constant Chemical Potential Molecular Dynamics Simulations | Jan 27, 2023 | |
| Python | 2 | Molecular dynamics simulations of ultracold plasmas. | Mar 28, 2022 | |
| Jupyter Notebook | 6 | Workshop that teaches how to set up and analyse molecular dynamics simulations | Mar 16, 2023 | |
| Jupyter Notebook | 3 | Quasi-anharmonic analysis of molecular dynamics simulations | Jun 02, 2021 | |
| Python | 5 | Auxiliary tools for automated atomistic and coarse-grained molecular dynamics simulations using gromacs | Nov 25, 2022 | |
| Matlab | 3 | Tools for analyzing AFiNeS simulations | Apr 23, 2018 | |
| Julia | 3 | Julia implementation of constraint algorithms for Molecular Dynamics simulations. | Jun 05, 2022 | |
| C | 4 | A Python library for ab-initio molecular dynamics simulations | Oct 05, 2022 | |
| Python | 5 | setup/analysis of molecular dynamics simulations for membrane proteins | Jan 26, 2024 | |
| Python | 8 | Functions for analyzing molecular simulations according to scattering experiments | Mar 28, 2022 | |
| Python | 26 | PyRod - Tracing water molecules in molecular dynamics simulations | Feb 02, 2022 | |
| C++ | 5 | Molecular Dynamics Trajectory Analysis Tools | Jun 21, 2022 | |
| Python | 69 | Quickly generate, start and analyze benchmarks for molecular dynamics simulations. | Apr 11, 2023 | |
| Python | 16 | Perform high-throughput polymer molecular dynamics simulations with ease | Apr 18, 2023 | |
| Python | 2 | Identify electronic allostery in ab-initio molecular dynamics simulations. | Jan 22, 2024 | |
| Python | 5 | Python code to run Supervised Molecular Dynamics (SuMD) simulations | Jun 24, 2023 | |
| Python | 2 | A repository for the development of data analysis tools for replica exchange molecular dynamics (REMD) … | Aug 30, 2022 | |
| Julia | 4 | An interface for generating simple crystal structures for molecular dynamics simulations. | Apr 26, 2023 | |
| OpenEdge ABL | 21 | Lee-Ping's general purpose script for running OpenMM molecular dynamics simulations | Feb 21, 2023 | |
| Python | 2 | A set of standard tools for setting proteins and small molecules for molecular simulations. | Aug 24, 2023 | |
| None | 5 | MDAnalysis is a Python library to analyze molecular dynamics simulations. | Jul 20, 2022 | |
| Python | 887 | MDAnalysis is a Python library to analyze molecular dynamics simulations. | Oct 08, 2022 | |
| None | 2 | MDAnalysis is a Python library to analyze molecular dynamics simulations. | May 26, 2022 | |
| Python | 2 | Python code to run Thermal Titration Molecular Dynamics (TTMD) simulations | Aug 02, 2022 | |
| Python | 6 | Analysis framework of dissipation-corrected targeted molecular dynamics (dcTMD) simulations. | Apr 03, 2023 | |
| C | 4 | Spatially resolved solvation free energy maps from molecular dynamics simulations | Aug 17, 2023 | |
| TeX | 4 | Set up, simulate and analyze the results of molecular dynamics simulations of lyotropic liquid crystal … | Aug 11, 2021 | |
| Tcl | 2 | Code and data for Meyer et al, Analyzing Machupo virus-receptor binding by molecular dynamics simulations, … | May 14, 2021 | |
| Fortran | 7 | Richmol is for variational simulations of molecular nuclear motion dynamics in fields | Mar 20, 2023 | |
| Python | 2 | A user-friendly, Python tool for clustering pathways from molecular dynamics simulations. | Jan 31, 2024 | |
| Python | 5 | Biobb_md is the Biobb module collection to perform molecular dynamics simulations. | Jun 22, 2022 | |
| Shell | 2 | Benchmark CPUs and GPUs by running molecular dynamics simulations in LAMMPS | Mar 27, 2022 | |
| Python | 17 | Correlation-based feature selection of Molecular Dynamics simulations https://moldyn.github.io/MoSAIC/ | Mar 27, 2023 | |
| Python | 4 | Extract patterns from ab-initio molecular dynamics simulations using machine learning. | May 03, 2023 | |
| Shell | 11 | Wrapper script for preparing explicitly solvated systems for molecular dynamics simulations with Amber. | Mar 02, 2023 | |
| Jupyter Notebook | 2 | Tools for structural biology using NMR and molecular dynamics | Nov 01, 2022 | |
| Jupyter Notebook | 4 | Temperature transferable dual graph convolutional neural network for coarse grained molecular dynamics simulations. | Feb 08, 2023 | |
| Python | 2 | Molecular dynamics (MD) simulations supported by k-Bags Convolutional Neural Network (kcon). | Aug 15, 2019 | |
| Python | 14 | A tiny package to compute the dynamics of stochastic and molecular simulations | Dec 03, 2021 | |
| Python | 6 | Various integrations to the Schrodinger ecosystem. With major interest on analysis tools for Molecular Dynamics … | Aug 08, 2022 | |
| Python | 4 | Python tools for running and analyzing simulations using Mumax3 | Feb 09, 2023 | |
| Python | 2 | Molecular dynamics simulator. | Mar 28, 2020 | |
| C++ | 2 | Molecular dynamics project | Jun 28, 2018 | |
| Python | 7 | MSMD (mixed-solvent molecular dynamics) engine and analysis tools | May 16, 2023 | |
| Python | 2 | Biobb_analysis is the Biobb module collection to perform analysis of molecular dynamics simulations. | Dec 23, 2021 | |
| Python | 2 | Biobb_chemistry is the Biobb module collection to perform chemistry over molecular dynamics simulations. | Jan 20, 2023 |