ml-evs / this-material-does-not-existLinks
Vote on whether you think predicted crystal structures could be synthesised
☆18Updated last year
Alternatives and similar repositories for this-material-does-not-exist
Users that are interested in this-material-does-not-exist are comparing it to the libraries listed below
Sorting:
- MatID is a Python package for identifying and analyzing atomistic systems based on their structure.☆13Updated 4 months ago
- Tools for machine learnt interatomic potentials☆42Updated this week
- ☆17Updated 9 months ago
- Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…☆14Updated last year
- Software for evaluating pareto-optimal synthesis pathways☆24Updated last year
- Adds Orb Model functionality to LAMMPS via Python wrapping☆15Updated 9 months ago
- a find-and-replace tool for crystal structure models. implements (i) subgraph matching and (ii) point set alignment to search a parent cr…☆20Updated last year
- A collection of files related to machine learning force fields☆23Updated 2 years ago
- Encoding chemistry to interpret crystallographic data☆27Updated last week
- A software for automating materials science computations☆33Updated 2 months ago
- Modulated automation of cluster expansion based on atomate2 and Jobflow☆12Updated last week
- A pymatgen addon for parsing Quantum ESPRESSO files☆28Updated last year
- ☆27Updated last year
- WhereWulff: A semi-autonomous workflow for systematic catalyst surface reactivity under reaction conditions☆32Updated last year
- Code and Data for "Large Language Models for Inorganic Synthesis Prediction"☆32Updated last year
- This is a repository containing an advanced tutorial for jobflow (https://github.com/materialsproject/jobflow) related to computational …☆17Updated 2 years ago
- An overview over chemical datasets and where to find them☆17Updated 2 years ago
- Equitrain: A Unified Framework for Training and Fine-tuning Machine Learning Interatomic Potentials☆11Updated this week
- Curated list of known efforts in collecting and/or curating of chemical/materials data☆23Updated 5 years ago
- A molecular simulation package integrating MLFFs in MOFs for DAC☆41Updated 2 months ago
- Alchemical machine learning interatomic potentials☆32Updated last year
- An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution…☆13Updated last year
- Charge equilibration method for crystal structures☆16Updated 3 years ago
- An ecosystem for digital reticular chemistry☆52Updated last year
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆17Updated 2 months ago
- Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons☆16Updated last year
- Use time-splits for Materials Project entries for generative modeling benchmarking.☆12Updated 2 years ago
- A high-performance software package for training and evaluating machine-learned XC functionals using the CIDER framework☆17Updated last month
- A Python package for adding uncertainties to neural network models of chemical systems.☆26Updated 3 years ago
- materials science related animations☆13Updated last year