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 3 months ago
- Encoding chemistry to interpret crystallographic data☆27Updated 3 weeks 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
- Adds Orb Model functionality to LAMMPS via Python wrapping☆15Updated 8 months ago
- Tools for machine learnt interatomic potentials☆39Updated 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…☆18Updated last year
- This is a repository containing an advanced tutorial for jobflow (https://github.com/materialsproject/jobflow) related to computational …☆17Updated 2 years ago
- A collection of files related to machine learning force fields☆23Updated 2 years ago
- Code and Data for "Large Language Models for Inorganic Synthesis Prediction"☆32Updated last year
- A collection of simulation recipes for the atomic-scale modeling of materials and molecules☆30Updated this week
- A software for automating materials science computations☆33Updated last month
- WhereWulff: A semi-autonomous workflow for systematic catalyst surface reactivity under reaction conditions☆32Updated last year
- A pymatgen addon for parsing Quantum ESPRESSO files☆27Updated last year
- Alchemical machine learning interatomic potentials☆32Updated last year
- ☆17Updated 8 months ago
- Software for evaluating pareto-optimal synthesis pathways☆25Updated 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
- ☆25Updated 2 years ago
- An ecosystem for digital reticular chemistry☆52Updated last year
- Charge equilibration method for crystal structures☆14Updated 2 years ago
- Modulated automation of cluster expansion based on atomate2 and Jobflow☆12Updated this week
- ☆27Updated 4 months ago
- ☆27Updated last year
- Curated list of known efforts in collecting and/or curating of chemical/materials data☆23Updated 4 years ago
- Train, fine-tune, and manipulate machine learning models for atomistic systems☆50Updated last week
- A high-performance software package for training and evaluating machine-learned XC functionals using the CIDER framework☆14Updated last week
- An overview over chemical datasets and where to find them☆17Updated 2 years ago
- Calculation of vibrational spectra with quantum nuclear motion☆12Updated last year
- A quick tutorial for modern materials science, should the reader be not familiar with it and just wishing to crack the data☆16Updated 3 months ago
- dataset augmentation for atomistic machine learning☆21Updated 2 weeks ago