pyCSH: automated generation of realistic bulk calcium silicate hydrate (C-S-H) structures.
☆13Jun 26, 2024Updated 2 years ago
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
- 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
- automate the setup of atomistic clay models for classical molecular dynamics simulations with GROMACS☆20Oct 14, 2025Updated 9 months 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.
- ☆10Jul 19, 2021Updated 5 years ago
- GPTFF allowing anyone to directly download and run the AI model in an out-of-the-box manner☆71Updated this week
- Molecular Dynamics in the Open☆90Updated this week
- tools to read an abaqus odb, generate relevant outputs and write them to files☆18Feb 9, 2018Updated 8 years ago
- A force field for the simulation of inorganic-organic interfaces (INTERFACE-CHARMM, INTERFACE-PCFF)☆23Feb 14, 2024Updated 2 years ago
- ☆17Feb 12, 2026Updated 5 months ago
- A python code to calculate the Brownian motion of colloidal particles in a time varying force field.☆21Nov 16, 2024Updated last year
- 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
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- A computational building block approach towards multiscale architected materials analysis and design with application to hierarchical met…☆28Apr 25, 2023Updated 3 years ago
- Code and data for paper: Learning interpretable dynamics of stochastic complex systems from experimental data☆24Oct 22, 2025Updated 9 months ago
- I-ReaxFF: stand for Intelligent-Reactive Force Field☆38Updated this week
- Python data analysis package for active and soft matter simulations☆25Mar 30, 2026Updated 3 months ago
- Material Potential Library (MatPL) (formerly known as PWMLFF, https://github.com/LonxunQuantum/PWMLFF) is an open-source software package…☆15Updated this week
- [ICLR 2025] Official Implementation of "Towards Fast, Specialized Machine Learning Force Fields: Distilling Foundation Models via Energy …☆27Apr 17, 2025Updated last year
- Python implementation of Langevin inference methods from time series.☆38Updated this week
- LAMMPS input from lammpstutorials.github.io☆64Oct 1, 2025Updated 9 months ago
- https://github.com/kaieye/2022-Machine-Learning-Specialization☆50Oct 19, 2022Updated 3 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Score-based 3D molecule generation with neural fields - NeurIPS 2024☆27Dec 3, 2024Updated last year
- Polyhedral Template Matching algorithm for analysis of molecular dynamics simulation data☆22Mar 22, 2020Updated 6 years ago
- Tutorial repository of introduction to porous materials using MATLAB☆47Oct 15, 2022Updated 3 years ago
- 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
- ☆23Jun 2, 2024Updated 2 years ago
- learning to paint with differentiable stroke-based rendering☆37Dec 7, 2022Updated 3 years ago
- ☆45May 25, 2019Updated 7 years ago
- Example finite element codes for coupled theories in solid mechanics.☆19Oct 9, 2025Updated 9 months ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- My notes from the theoretical physics degree at Edinburgh University☆62Aug 21, 2024Updated last year
- Python codes for Abaqus ODB files postprocessing☆56May 7, 2016Updated 10 years ago
- This repository contains the data and scripts necessary to reproduce the results presented in the paper: **"Scalable molecular simulation…☆50Jun 2, 2024Updated 2 years ago
- [ICML 2025] ELoRA: Low-Rank Adaptation for Equivariant GNNs☆24Jul 1, 2025Updated last year
- cp2k postprocessing tools☆80Feb 21, 2026Updated 5 months ago
- Wyckoff Transformer: Generation of Symmetric Crystals [ICML 2025]☆29Jun 8, 2026Updated last month
- ☆73Oct 30, 2023Updated 2 years ago