☆45Sep 30, 2026Updated last month
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☆66Aug 7, 2025Updated last year
- ☆25Sep 26, 2022Updated 4 years ago
- Heat-conductivity benchmark test for foundational machine-learning potentials☆31Jun 28, 2026Updated 4 months ago
- Projected Electronic Bands in Quantum Espresso☆18Oct 21, 2025Updated last year
- This module includes functions that can be used to simulate mechanochemical phenomena.☆11Nov 16, 2021Updated 4 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.
- ☆68Oct 20, 2026Updated last week
- ALCHEMI Toolkit is a developer toolkit for accelerating training and inference for AI in chemistry and material science.☆202Updated this week
- Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons☆16Oct 30, 2024Updated 2 years ago
- Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.☆62Jul 2, 2025Updated last year
- The thermal conductivity of a molecular dynamics system is calculated using the Green-Kubo fluctuation Dissipation Theorem☆17Feb 11, 2021Updated 5 years ago
- Course repository for 06-623☆13Mar 31, 2020Updated 6 years ago
- A Python implementation of the direct MaxFlux method for transition state search☆45Aug 16, 2026Updated 2 months ago
- LAMMPS plugins for thermal conductivity and density of states calculation☆52Mar 9, 2019Updated 7 years ago
- ☆14Apr 26, 2018Updated 8 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.
- SHRY (Suite for High-throughput generation of models with atomic substitutions implemented by python) is a tool for generating unique ord…☆15Feb 16, 2026Updated 8 months ago
- The CPMD code is a parallelized plane wave / pseudopotential implementation of Density Functional Theory, particularly designed for ab-in…☆53Jan 24, 2023Updated 3 years ago
- Alchemical machine learning interatomic potentials☆39Nov 8, 2024Updated last year
- Cohort Shapley: A local explanation method for black box prediction with only observed data☆25May 30, 2024Updated 2 years ago
- A project on Fourier grid Hamiltonian method and Quantum Monte Carlo method☆17Dec 12, 2016Updated 9 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
- Saliency calculation module for Chainer☆12May 28, 2019Updated 7 years ago
- RadonPy is a Python library to automate physical property calculations for polymer informatics.☆289Oct 13, 2026Updated 2 weeks ago
- AiiDA plugin for Gaussian quantum chemistry software☆12Oct 15, 2026Updated 2 weeks 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.
- Metrics for assessing 3D molecular structures.☆11May 9, 2026Updated 5 months ago
- [ICML'24] Adsorbate Placement via Conditional Denoising Diffusion☆25May 9, 2024Updated 2 years ago
- A collection of tools designed for the automatic construction, and subsequent analysis, of chemical compounds.☆20Jun 5, 2025Updated last year
- ☆97Apr 16, 2025Updated last year
- ☆15Feb 26, 2024Updated 2 years ago
- Amazon Braket で量子コンピューティングを試すためのサンプルノートブック (日本語) です。☆13Oct 5, 2023Updated 3 years ago
- Implementation of Differentiable Molecular Simulations with torchMD.☆15Oct 9, 2023Updated 3 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
- A bayesian retrosynthesis algorithm☆15Jun 1, 2026Updated 4 months ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- pytorch implementation of dftd2 & dftd3 (not actively maintained)☆109Oct 21, 2026Updated last week
- SPINNER (Structure Prediction of Inorganic crystals using Neural Network potentials with Evolutionary and Random searches)☆15Jul 20, 2024Updated 2 years ago
- A suite of React components for the Materials Project, developed for use in Crystal Toolkit and the Materials Project public website.☆32Sep 18, 2026Updated last month
- Repository for the tmQMg-L dataset files.☆21Feb 25, 2026Updated 8 months ago
- For the conversion of crystal systems (as cifs) to LAMMPS inputs☆27Sep 13, 2021Updated 5 years ago
- X3D for Atomic Simulation Environment☆15Nov 8, 2020Updated 5 years ago
- Quick Uncertainty and Entropy via STructural Similarity☆68Apr 1, 2026Updated 6 months ago