☆18Sep 12, 2023Updated 2 years ago
Alternatives and similar repositories for SynthNN
Users that are interested in SynthNN are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Software for evaluating pareto-optimal synthesis pathways☆24Jun 10, 2024Updated 2 years ago
- Semi-supervised learning code + CAVD + BVSE + QE-NEB for identifying prospective ion conductors☆15Sep 24, 2022Updated 3 years ago
- PyTorch/PyG implementation of M3GNet☆11Sep 11, 2023Updated 2 years ago
- A Python package for adding uncertainties to neural network models of chemical systems.☆27Jul 5, 2022Updated 4 years ago
- MODNet: a framework for machine learning materials properties☆112May 2, 2025Updated last year
- 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.
- A python library for accessing the ICSD API Client. Under no affiliation with Fitz-Karlsruhe, please see https://icsd.fiz-karlsruhe.de/in…☆22May 12, 2026Updated 2 months ago
- Visualization for TRI materials network data☆17Jul 18, 2023Updated 3 years ago
- A text-guided diffusion model for crystal structure generation☆80May 30, 2025Updated last year
- ☆11Feb 1, 2025Updated last year
- ☆35Feb 17, 2022Updated 4 years ago
- Predict materials properties using only the composition information!☆18Jun 4, 2025Updated last year
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆41Jun 1, 2024Updated 2 years ago
- This repository contains neccessary code to train AnisoNet, an equivariant graph neural network for predicting dielectric tensors of crys…☆14Feb 20, 2026Updated 5 months ago
- Crystal structure prediction using neural network potential and age-fitness Pareto genetic algorithm☆14May 5, 2025Updated last year
- 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.
- ☆12Updated this week
- Benchmark of crystal structure prediction algorithms☆15Jun 9, 2025Updated last year
- Neural Network Crystal Synthesizability Predictor (NNCSP)☆12Aug 29, 2024Updated last year
- Adds Orb Model functionality to LAMMPS via Python wrapping☆15Apr 1, 2025Updated last year
- A Pymatgen IO module for setting up OpenMM simulations.☆11Mar 15, 2024Updated 2 years ago
- Reaction Network is a Python package for predicting likely inorganic chemical reaction pathways using graph theoretical methods. Project …☆130Jun 10, 2026Updated last month
- Python toolkit for molecular dynamics analysis☆41Updated this week
- Tutorial to learn basic features of atomate2☆15Sep 17, 2024Updated last year
- ☆22Aug 31, 2020Updated 5 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons☆16Oct 30, 2024Updated last year
- Unsupervised identification and analysis of ion-hopping events in solid state electrolytes.☆17Dec 19, 2025Updated 7 months ago
- Analyse molecular dynamics simulations of solid-state ion transport by assigning mobile ions to discrete sites☆18Jun 2, 2026Updated last month
- A quick tutorial for modern materials science, should the reader be not familiar with it and just wishing to crack the data☆16Aug 24, 2025Updated 11 months ago
- Tool to fetch, parse, and standardize materials data from various databases for LeMaterial.☆19Jun 8, 2026Updated last month
- Tutorial exercises for the OPTIMADE API☆17Sep 27, 2023Updated 2 years ago
- CGCNN with personal modifications for defect calculations☆15Jan 19, 2024Updated 2 years ago
- A collection of files related to machine learning force fields☆25Oct 25, 2023Updated 2 years ago
- Composition-Conditioned Crystal GAN pytorch code☆41Feb 28, 2022Updated 4 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.
- A python-based crystal viewer built upon the fresnel and pymatgen libraries.☆16May 20, 2024Updated 2 years ago
- This add-on to pymatgen provides tools for analyzing diffusion in materials.☆143Jun 1, 2026Updated last month
- Code for the paper titled "The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials".☆18Nov 7, 2024Updated last year
- [OPEN Survey] A collection of papers on XRD-based crystal structure identification and analysis.☆21Jul 14, 2026Updated last week
- Curated list of known efforts in collecting and/or curating of chemical/materials data☆24Dec 8, 2020Updated 5 years ago
- A framework for using topological data analysis to extract structure/symmetry from scientific systems.☆26Aug 28, 2022Updated 3 years ago
- Python package to aid materials design and informatics☆136Updated this week