☆45Jun 11, 2026Updated this week
Alternatives and similar repositories for matlantis-contrib
Users that are interested in matlantis-contrib are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Atomistic simulation hands on tutorial on Matlantis☆64Aug 7, 2025Updated 10 months ago
- A Python implementation of the direct MaxFlux method for transition state search☆39Jun 1, 2026Updated 2 weeks ago
- ☆25Sep 26, 2022Updated 3 years ago
- Alchemical machine learning interatomic potentials☆35Nov 8, 2024Updated last year
- Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.☆62Jul 2, 2025Updated 11 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- [ICML'24] Adsorbate Placement via Conditional Denoising Diffusion☆24May 9, 2024Updated 2 years ago
- Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons☆16Oct 30, 2024Updated last year
- Course repository for 06-623☆13Mar 31, 2020Updated 6 years ago
- The thermal conductivity of a molecular dynamics system is calculated using the Green-Kubo fluctuation Dissipation Theorem☆17Feb 11, 2021Updated 5 years ago
- Generate symmetrized force constants☆28Jun 9, 2026Updated last week
- Compute neighbor lists for atomistic systems☆82Updated this week
- Cohort Shapley: A local explanation method for black box prediction with only observed data☆25May 30, 2024Updated 2 years ago
- Linked Chemical Information. LinChemIn is a Python toolkit that leverages the native connectivity of Chemical Reaction Data and provides …☆44May 13, 2025Updated last year
- A workflow to create computation-ready metal-organic framework database.☆38Oct 9, 2025Updated 8 months 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.
- ☆14Apr 26, 2018Updated 8 years ago
- Saliency calculation module for Chainer☆12May 28, 2019Updated 7 years ago
- ☆13Oct 9, 2024Updated last year
- A suite of React components for the Materials Project, developed for use in Crystal Toolkit and the Materials Project public website.☆30Jun 11, 2026Updated last week
- AiiDA plugin for Gaussian quantum chemistry software☆12Feb 21, 2026Updated 3 months ago
- A collection of tools designed for the automatic construction, and subsequent analysis, of chemical compounds.☆20Jun 5, 2025Updated last year
- Backend for the Catalysis-hub database build with Flask, GraphQL and SQLAlchemy☆13May 19, 2026Updated 3 weeks ago
- ☆85Apr 16, 2025Updated last year
- SPINNER (Structure Prediction of Inorganic crystals using Neural Network potentials with Evolutionary and Random searches)☆15Jul 20, 2024Updated last year
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- 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
- LAMMPS plugins for thermal conductivity and density of states calculation☆52Mar 9, 2019Updated 7 years ago
- ☆15Feb 26, 2024Updated 2 years ago
- A Python package for data-mining the QM9 dataset☆20Mar 14, 2025Updated last year
- Implementation of Differentiable Molecular Simulations with torchMD.☆15Oct 9, 2023Updated 2 years ago
- An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution…☆13Apr 8, 2024Updated 2 years ago
- An evaluation framework for machine learning models simulating high-throughput materials discovery.☆232Updated this week
- For the conversion of crystal systems (as cifs) to LAMMPS inputs☆27Sep 13, 2021Updated 4 years ago
- GRACE models and gracemaker (as implemented in TensorPotential package)☆94Jun 5, 2026Updated last week
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- GraphRXN☆32May 22, 2023Updated 3 years ago
- ☆13Nov 1, 2023Updated 2 years ago
- This is the source code for paper "Neural Network Potentials for Accelerated Metadynamics of Oxygen Reduction Kinetics at Au-Water Interf…☆24Jun 5, 2024Updated 2 years ago
- [TMLR 2024 J2C Certification] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields☆43Feb 11, 2025Updated last year
- X3D for Atomic Simulation Environment☆15Nov 8, 2020Updated 5 years ago
- Jupyter notebook for an introduction to atomic-scale machine learning class☆18Nov 14, 2023Updated 2 years ago
- [WWW 25] USPTO-LLM: A Large Language Model-Assisted Information-enriched Chemical Reaction Dataset☆19Dec 12, 2024Updated last year