rpw199912j / matsci_animationLinks
materials science related animations
☆11Updated 5 months ago
Alternatives and similar repositories for matsci_animation
Users that are interested in matsci_animation are comparing it to the libraries listed below
Sorting:
- Tools for machine learnt interatomic potentials☆29Updated this week
- ☆18Updated this week
- This repository contains neccessary code to train AnisoNet, an equivariant graph neural network for predicting dielectric tensors of crys…☆11Updated 2 months ago
- ☆12Updated 5 months ago
- A Benchmarking Framework for Crystal GNNs☆18Updated last year
- Unsupervised identification and analysis of ion-hopping events in solid state electrolytes.☆13Updated last month
- Equitrain: A Unified Framework for Training and Fine-tuning Machine Learning Interatomic Potentials☆12Updated 2 weeks ago
- Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons☆16Updated 7 months ago
- Quick Uncertainty and Entropy via STructural Similarity☆44Updated this week
- Vote on whether you think predicted crystal structures could be synthesised☆18Updated 10 months ago
- Cross-platform Optimizer for ML Interatomic Potentials☆19Updated 7 months ago
- Generate symmetrized force constants☆21Updated last week
- Tutorial exercises for the OPTIMADE API☆15Updated last year
- Phonons from ML force fields☆21Updated 2 months ago
- DFT dataset and machine learning models for high entropy alloys☆14Updated last year
- ☆21Updated last year
- Use time-splits for Materials Project entries for generative modeling benchmarking.☆12Updated 2 years ago
- Some tutorial-style examples for validating machine-learned interatomic potentials☆34Updated last year
- A molecular simulation package integrating MLFFs in MOFs for DAC☆31Updated 2 months ago
- This git repository will serve as a companion to a forthcoming chapter in "Quantum Chemistry in the Age of Machine Learning"☆14Updated 11 months ago
- A collection of files related to machine learning force fields☆21Updated last year
- ☆25Updated 2 weeks ago
- a find-and-replace tool for crystal structure models. implements (i) subgraph matching and (ii) point set alignment to search a parent cr…☆17Updated 11 months ago
- A Pymatgen IO module for setting up OpenMM simulations.☆11Updated last year
- Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…☆13Updated 7 months ago
- Tutorial to learn basic features of atomate2☆14Updated 9 months ago
- 2017-09-26 Linux source.☆13Updated 3 years ago
- python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using parall…☆18Updated last week
- dataset augmentation for atomistic machine learning☆15Updated last week
- Reproduction of CGCNN with fine-tuning for predicting material properties☆18Updated this week