pyCSH: automated generation of realistic bulk calcium silicate hydrate (C-S-H) structures.
☆13Jun 26, 2024Updated last year
Alternatives and similar repositories for pyCSH
Users that are interested in pyCSH are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- The computational modeling tool for custom atomistic model of calcium-silicate-hydrates (C-S-H)☆23May 14, 2023Updated 3 years ago
- automate the setup of atomistic clay models for classical molecular dynamics simulations with GROMACS☆20Oct 14, 2025Updated 7 months ago
- KIMERA: A Kinetic Monte Carlo code for Mineral Dissolution☆12Feb 1, 2021Updated 5 years ago
- Python and C++ library to process both experimental and simulation data of colloidal particles.☆15Sep 2, 2021Updated 4 years ago
- Code for running NEMD simulation on LAMMPS and post-processing the results to compute viscosity☆17Aug 18, 2020Updated 5 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- ☆16Feb 12, 2026Updated 4 months ago
- tools to read an abaqus odb, generate relevant outputs and write them to files☆18Feb 9, 2018Updated 8 years ago
- Estimate Avogadro's number using video microscopy of Brownian motion.☆10Sep 21, 2022Updated 3 years ago
- ☆10Jul 19, 2021Updated 4 years ago
- Molecular Dynamics in the Open☆91Jun 4, 2026Updated last week
- GPTFF allowing anyone to directly download and run the AI model in an out-of-the-box manner☆71Apr 21, 2026Updated last month
- LAMMPS scripts to simulate uniaxial tensile test of a graphene Sample☆37Jul 18, 2020Updated 5 years ago
- Code and data for paper: Learning interpretable dynamics of stochastic complex systems from experimental data☆23Oct 22, 2025Updated 7 months ago
- A force field for the simulation of inorganic-organic interfaces (INTERFACE-CHARMM, INTERFACE-PCFF)☆23Feb 14, 2024Updated 2 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- [ICLR 2025] Official Implementation of "Towards Fast, Specialized Machine Learning Force Fields: Distilling Foundation Models via Energy …☆25Apr 17, 2025Updated last year
- A python code to calculate the Brownian motion of colloidal particles in a time varying force field.☆21Nov 16, 2024Updated last year
- Required LAMMPS and MATLAB files for several molecular dynamics simulations.☆47Nov 12, 2021Updated 4 years ago
- A computational building block approach towards multiscale architected materials analysis and design with application to hierarchical met…☆29Apr 25, 2023Updated 3 years ago
- A geometric deep learning model for predicting molecular tensorial properties and selected spectra with high accurately and efficiency☆14Nov 10, 2024Updated last year
- A GROMACS implementation of the ClayFF force field☆43Dec 28, 2022Updated 3 years ago
- I-ReaxFF: stand for Intelligent-Reactive Force Field☆38Jun 2, 2026Updated last week
- Python data analysis package for active and soft matter simulations☆25Mar 30, 2026Updated 2 months ago
- Polyhedral Template Matching algorithm for analysis of molecular dynamics simulation data☆21Mar 22, 2020Updated 6 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- ☆23Jun 2, 2024Updated 2 years ago
- LAMMPS input from lammpstutorials.github.io☆61Oct 1, 2025Updated 8 months ago
- Tutorial repository of introduction to porous materials using MATLAB☆47Oct 15, 2022Updated 3 years ago
- Python implementation of Langevin inference methods from time series.☆37May 13, 2026Updated last month
- https://github.com/kaieye/2022-Machine-Learning-Specialization☆50Oct 19, 2022Updated 3 years ago
- ☆45May 25, 2019Updated 7 years ago
- Score-based 3D molecule generation with neural fields - NeurIPS 2024☆28Dec 3, 2024Updated last year
- slientruss3d : Python for stable truss analysis and optimization tool☆32Feb 14, 2023Updated 3 years ago
- Cascaded Primitive Fitting Networks for High-Resolution Point Clouds☆24Feb 17, 2023Updated 3 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- cp2k postprocessing tools☆79Feb 21, 2026Updated 3 months ago
- learning to paint with differentiable stroke-based rendering☆37Dec 7, 2022Updated 3 years ago
- Python codes for Abaqus ODB files postprocessing☆55May 7, 2016Updated 10 years ago
- ☆73Oct 30, 2023Updated 2 years ago
- This repository contains the data and scripts necessary to reproduce the results presented in the paper: **"Scalable molecular simulation…☆49Jun 2, 2024Updated 2 years ago
- Real time molecular dynamics in the browser using LAMMPS☆74Jun 3, 2026Updated last week
- Python Suite for Advanced General Ensemble Simulations☆102Jun 6, 2026Updated last week