☆19May 12, 2015Updated 11 years ago
Alternatives and similar repositories for Ovito
Users that are interested in Ovito are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening☆14Oct 27, 2015Updated 11 years ago
- Density based object completion over PBC.☆33Apr 23, 2026Updated 6 months ago
- Program package for the quantum mechanical calculation of EI mass spectra using automated reaction network exploration☆29Aug 19, 2026Updated 2 months ago
- Minimum energy path tools for atomistic simulations☆11Jul 21, 2026Updated 3 months ago
- This program computes the sum-frequency generation (SFG) spectrum for a give MD trajectory of interfacial water molecules. The program ca…☆13Jul 24, 2023Updated 3 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Tutorials for the PIQM-2023 Advanced School☆11Sep 29, 2026Updated last month
- A python library for extracting memory kernels and adding colored noise to MD simulations☆11Sep 11, 2026Updated last month
- Software package for spin dynamics☆15Oct 19, 2026Updated last week
- Some VASP scripts☆12Oct 9, 2012Updated 14 years ago
- NN PES for reactions.☆11May 27, 2022Updated 4 years ago
- XGBoost and GNN training and models for prediction of Hansen solubility parameters☆15Jul 4, 2024Updated 2 years ago
- ☆14May 10, 2024Updated 2 years ago
- Tutorial and examples for various types of simulations with i-PI and MLIPs☆15Jul 24, 2025Updated last year
- Tools and python module to assist in tabulation of pair and EAM potentials for atomistic simulation.☆13Dec 22, 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 software for mapping energy landscape with a variety of methods, using classical potentials. Based on the LAMMPS MD package.☆12Jan 29, 2021Updated 5 years ago
- Turbomoleio is a python package containing a set of tools for the generation of inputs and parsing of outputs for the TURBOMOLE quantum c…☆21Jan 20, 2025Updated last year
- Analyze correlations in lithium-ion diffusion trajectories☆10Apr 24, 2024Updated 2 years ago
- Interpretable learning for electrode-voltage prediction and design of multivalent metal-ion batteries☆11Jan 2, 2022Updated 4 years ago
- ☆10Dec 24, 2014Updated 11 years ago
- ☆11Dec 20, 2023Updated 2 years ago
- Python-native(ish) implementation of Grimme's DFT-D3(BJ) correction for use in Atomic Simulation Environment (ASE)☆10Aug 23, 2019Updated 7 years ago
- Python codes for calculation of polarization displacement vector in ferroelectric materials☆17Sep 11, 2026Updated last month
- FortranCL: a Fortran 90 interface for OpenCL☆11Jun 27, 2024Updated 2 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- CHPC's Lmod setup☆10Jan 24, 2024Updated 2 years ago
- Source code of the Kinetic Monte Carlo MMonCa, available for diffusion of dopants in crystalline materials and simulation of epitaxial gr…☆38Oct 21, 2025Updated last year
- Interface declarations for basic linear algebra subprograms☆12Jun 7, 2024Updated 2 years ago
- Installation steps for various programs like VASP, LAMMPS, Quantum Espresso, Siesta in parallel☆16Jul 26, 2020Updated 6 years ago
- SMolSAT.py: Soft-Matter Molecular Simulation Analysis Toolkit☆15Dec 17, 2024Updated last year
- Bringing TOML blooms to JSON land☆10Oct 8, 2026Updated 3 weeks ago
- OpenMM implementation of MOFF, MRG-CG, and HPS models.☆46Sep 29, 2026Updated last month
- Apothesis: A kinetic Monte Carlo software for deposition processes☆26Apr 11, 2026Updated 6 months ago
- Freefall Archive-Binge Speedreader (FABS) & flytable.js library☆11Jan 24, 2022Updated 4 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.
- A fully automated approach to determine the melting temperature of crystalline materials☆22Sep 21, 2026Updated last month
- This repository will be used to gather unconference topics and facilitate voting on topics for the NumFOCUS 2024 Project Summit.☆10Sep 4, 2024Updated 2 years ago
- Linking fortran and lua together☆12Jun 11, 2024Updated 2 years ago
- Collection of some analytical bond order potentials ( listed in the LAMMPS format) from literature☆19Dec 12, 2022Updated 3 years ago
- An automated enhanced sampling generation of training sets for chemically reactive machine learning interatomic potentials☆23Jun 6, 2026Updated 4 months ago
- Python client for TeraChem Cloud☆13Jul 16, 2026Updated 3 months ago
- Geometrical Counter-Poise Correction☆14Aug 17, 2026Updated 2 months ago