This is a collection of answers to a SM book Statistical Mechanics Theory and Molecular simulation written by Mark E. Tuckerman. Lecture notes can be added too.
☆44May 26, 2016Updated 10 years ago
Alternatives and similar repositories for smtms
Users that are interested in smtms are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Data files which may be used to test examples accompanying the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. T…☆15Oct 7, 2017Updated 9 years ago
- A Python library to apply the Marginal Standard Error Rule (MSER) for transient regime detection and truncation on Grand Canonical Monte …☆30May 8, 2025Updated last year
- Corrections to the text of the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edition, Oxford Un…☆32Mar 21, 2023Updated 3 years ago
- Vizualisation of Atomic Contributions to Phonon Modes☆13Nov 6, 2024Updated 2 years ago
- Open source sigma profile generator.☆15Oct 9, 2026Updated 3 weeks ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- The Surface Assessment via Grid Evaluation (SuAVE) software was developed to account for the effect of curvature in the calculations of s…☆12Jun 7, 2026Updated 4 months ago
- Charge equilibration method for crystal structures☆18Dec 16, 2022Updated 3 years ago
- Simulates molecular adsorption and diffusion on nanoporous materials.☆19Apr 28, 2026Updated 6 months ago
- Many-body dispersion library☆13Sep 16, 2026Updated last month
- Licensed under Academic Non-Commercial Share-Alike License☆19Sep 3, 2025Updated last year
- Lennard Jones Molecular Dynamics in C++☆14Jun 17, 2016Updated 10 years ago
- ☆13May 5, 2026Updated 6 months ago
- Fortran and Python examples to accompany the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edit…☆347Oct 30, 2026Updated last week
- Some C++ code for basic Molecular Dynamics simulations.☆12Sep 12, 2018Updated 8 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- A website for sharing resources for teaching and learning mathematics☆11Mar 3, 2019Updated 7 years ago
- ☆22Jun 15, 2021Updated 5 years ago
- Lecture material used in my 8 hour long PhD course on "Numerical Methods for Partial Differential Equations"☆16May 21, 2025Updated last year
- zeo++ fork of the LSMO☆24Dec 19, 2022Updated 3 years ago
- ☆117Oct 13, 2022Updated 4 years ago
- ☆12Aug 30, 2023Updated 3 years ago
- Modification of RASPA2 code for GC-TMMC simulations☆14Apr 18, 2024Updated 2 years ago
- PACMOF is a small and easy to use python library that uses machine Learning to quickly estimate partial atomic charges in metal-organic …☆12Nov 22, 2024Updated last year
- Supporting material for the paper "Data driven collective variables for enhanced sampling"☆22Jun 6, 2024Updated 2 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- The Free Energy and Advanced Sampling Simulation Toolkit (FEASST) is a free and open-source software to conduct molecular- and particle-b…☆47Oct 14, 2026Updated 3 weeks ago
- Official Repository of the Optados code☆26Nov 14, 2025Updated 11 months ago
- Fast estimation of ion-pairing for screening electrolytes☆11Aug 23, 2022Updated 4 years ago
- This python code creates hybrid MD/MC (NAMD/GOMC) simulations for the NVT, NPT, GCMC, and GEMC-NVT ensembles☆49Updated this week
- A tool collection of the Computational Materials Chemistry group at the Ruhr-University Bochum☆17Jan 28, 2026Updated 9 months ago
- A graph attention network based model for predicting atomic partial charges in metal-organic frameworks.☆13Aug 26, 2025Updated last year
- Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors☆21Jul 18, 2020Updated 6 years ago
- Python implementation of the string method to compute the minimum energy path between two points on any 2-dimensional energy landscape.☆13May 13, 2024Updated 2 years ago
- BET Surface Identification - a program that fully implements the rouquerol criteria☆17Jul 6, 2023Updated 3 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Cassandra is a Monte Carlo package to conduct atomistic simulations.☆58Updated this week
- Using neural networks for enhanced sampling in computational biophysics☆16Aug 17, 2017Updated 9 years ago
- Reciprocal Space Attention (RSA) for Learning Long-Range Interactions☆17Nov 7, 2025Updated 11 months ago
- Using supervised machine learning to build collective variables for accelerated sampling☆28Jun 26, 2018Updated 8 years ago
- open source E-book on statistical physics☆52Oct 23, 2025Updated last year
- Some of useful tcl scripts to analyse data from VMD☆16Aug 2, 2022Updated 4 years ago
- This script makes a cyclic peptide or cyclic nucleotide topology file for GROMACS out of (specially prepared) linear molecule topology fi…☆14Nov 24, 2020Updated 5 years ago