☆11Sep 16, 2024Updated last year
Alternatives and similar repositories for mace-tutorials-csc
Users that are interested in mace-tutorials-csc are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Collection of Tutorials on Machine Learning Interatomic Potentials☆29Jul 26, 2024Updated last year
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆104Jun 20, 2026Updated last week
- Machine Learning Interatomic Potentials with the Atomic Cluster Expansion☆75Updated this week
- CUDA implementations of MACE models☆23Aug 19, 2025Updated 10 months ago
- Equitrain: A Unified Framework for Training and Fine-tuning Machine Learning Interatomic Potentials☆29Jun 17, 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.
- Collection of tutorials to use the MACE machine learning force field.☆61Jan 22, 2026Updated 5 months ago
- ☆16Oct 1, 2023Updated 2 years ago
- Code for automated fitting of machine learned interatomic potentials.☆152Jun 19, 2026Updated 2 weeks ago
- ☆111Jun 5, 2026Updated 3 weeks ago
- Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons☆16Oct 30, 2024Updated last year
- ☆53Jun 16, 2026Updated 2 weeks ago
- Contains Jupyter notebooks and other materials prepared for the course Numerical Methods offered at TIFR Hyderabad (https://moldis-group.…☆13Dec 26, 2022Updated 3 years ago
- Official repository for the paper "Uncertainty-biased molecular dynamics for learning uniformly accurate interatomic potentials".☆21Oct 29, 2024Updated last year
- Lab materials for MIT 3.320 and Harvard AP 275 courses on atomistic modeling☆15Apr 20, 2021Updated 5 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Library for efficient training and application of Machine Learning Interatomic Potentials (MLIP)☆118Updated this week
- Description, readme and source-files for crystIT, a python based program to calculated complexity measures for crystal structures based o…☆16Dec 24, 2025Updated 6 months ago
- This is a repository containing an advanced tutorial for jobflow (https://github.com/materialsproject/jobflow) related to computational …☆17Jun 5, 2023Updated 3 years ago
- ☆22May 7, 2025Updated last year
- Tools for geometric learning☆12Sep 26, 2025Updated 9 months ago
- Calculation of vibrational spectra with quantum nuclear motion☆12Sep 18, 2024Updated last year
- ☆14Dec 14, 2024Updated last year
- Julia Library for Interatomic Potentials☆88Apr 14, 2025Updated last year
- ☆135May 3, 2026Updated last month
- 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.
- Train, fine-tune, and manipulate machine learning models for atomistic systems☆74Updated this week
- Computing representations for atomistic machine learning☆82Jun 24, 2026Updated last week
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆18Oct 19, 2025Updated 8 months ago
- A collection of simulation recipes for the atomic-scale modeling of materials and molecules☆51Updated this week
- Benchmark CPUs and GPUs by running molecular dynamics simulations in LAMMPS☆15Oct 25, 2022Updated 3 years ago
- Auto-differentiated descriptors using Enzyme☆12Apr 2, 2025Updated last year
- materials science related animations☆13Jan 9, 2025Updated last year
- Modulated automation of cluster expansion based on atomate2 and Jobflow☆12Jun 14, 2026Updated 2 weeks ago
- [TMLR 2025] Stability-Aware Training of Machine Learning Force Fields with Differentiable Boltzmann Estimators☆17Nov 20, 2025Updated 7 months 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.
- Tools for building equivariant polynomials on reductive Lie groups.☆37Jun 29, 2023Updated 3 years ago
- Sparse Gaussian Process Potentials☆28May 8, 2026Updated last month
- An overview of literature that discusses the use of machine learning for atomistic simulations☆44Apr 11, 2023Updated 3 years ago
- Quick Uncertainty and Entropy via STructural Similarity☆61Apr 1, 2026Updated 3 months ago
- Implementation of the Euclidean fast attention (EFA) algorithm☆101Jan 7, 2026Updated 5 months ago
- Run OpenMM with forces provided by any Python program☆43Dec 25, 2024Updated last year
- ☆24Dec 11, 2024Updated last year