β11Sep 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 Potentialsβ26Jul 26, 2024Updated last year
- π [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics β¦β98Apr 16, 2026Updated 2 weeks ago
- Machine Learning Interatomic Potentials with the Atomic Cluster Expansionβ71Apr 22, 2026Updated last week
- Equitrain: A Unified Framework for Training and Fine-tuning Machine Learning Interatomic Potentialsβ26Apr 19, 2026Updated last week
- CUDA implementations of MACE modelsβ23Aug 19, 2025Updated 8 months ago
- Managed hosting for WordPress and PHP on Cloudways β’ AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Collection of tutorials to use the MACE machine learning force field.β55Jan 22, 2026Updated 3 months ago
- β15Oct 1, 2023Updated 2 years ago
- Code for automated fitting of machine learned interatomic potentials.β145Apr 23, 2026Updated last week
- β109Feb 23, 2026Updated 2 months ago
- Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phononsβ16Oct 30, 2024Updated last year
- β49Apr 21, 2026Updated last week
- Contains Jupyter notebooks and other materials prepared for the course Numerical Methods offered at TIFR Hyderabad (https://moldis-group.β¦β12Dec 26, 2022Updated 3 years ago
- Official repository for the paper "Uncertainty-biased molecular dynamics for learning uniformly accurate interatomic potentials".β21Oct 29, 2024Updated last year
- Lab materials for MIT 3.320 and Harvard AP 275 courses on atomistic modelingβ15Apr 20, 2021Updated 5 years ago
- GPUs on demand by Runpod - Special Offer Available β’ AdRun AI, ML, and HPC workloads on powerful cloud GPUsβwithout limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Library for efficient training and application of Machine Learning Interatomic Potentials (MLIP)β94Apr 2, 2026Updated last month
- Description, readme and source-files for crystIT, a python based program to calculated complexity measures for crystal structures based oβ¦β16Dec 24, 2025Updated 4 months ago
- This is a repository containing an advanced tutorial for jobflow (https://github.com/materialsproject/jobflow) related to computational β¦β17Jun 5, 2023Updated 2 years ago
- β22May 7, 2025Updated 11 months ago
- Tools for geometric learningβ12Sep 26, 2025Updated 7 months ago
- Calculation of vibrational spectra with quantum nuclear motionβ12Sep 18, 2024Updated last year
- β13Dec 14, 2024Updated last year
- Julia Library for Interatomic Potentialsβ88Apr 14, 2025Updated last year
- β127Apr 18, 2026Updated 2 weeks ago
- End-to-end encrypted cloud storage - Proton Drive β’ AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- Train, fine-tune, and manipulate machine learning models for atomistic systemsβ68Apr 25, 2026Updated last week
- Computing representations for atomistic machine learningβ80Apr 2, 2026Updated last month
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.β18Oct 19, 2025Updated 6 months ago
- A collection of simulation recipes for the atomic-scale modeling of materials and moleculesβ49Updated this week
- Benchmark CPUs and GPUs by running molecular dynamics simulations in LAMMPSβ15Oct 25, 2022Updated 3 years ago
- Auto-differentiated descriptors using Enzymeβ12Apr 2, 2025Updated last year
- materials science related animationsβ13Jan 9, 2025Updated last year
- Quick Uncertainty and Entropy via STructural Similarityβ58Apr 1, 2026Updated last month
- Modulated automation of cluster expansion based on atomate2 and Jobflowβ12Updated this week
- Managed hosting for WordPress and PHP on Cloudways β’ AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- [TMLR 2025] Stability-Aware Training of Machine Learning Force Fields with Differentiable Boltzmann Estimatorsβ17Nov 20, 2025Updated 5 months ago
- Tools for building equivariant polynomials on reductive Lie groups.β36Jun 29, 2023Updated 2 years ago
- Sparse Gaussian Process Potentialsβ28Sep 29, 2025Updated 7 months ago
- An overview of literature that discusses the use of machine learning for atomistic simulationsβ44Apr 11, 2023Updated 3 years ago
- Implementation of the Euclidean fast attention (EFA) algorithmβ90Jan 7, 2026Updated 3 months ago
- Run OpenMM with forces provided by any Python programβ40Dec 25, 2024Updated last year
- β22Dec 11, 2024Updated last year