PKUsam2023 / CrySTINetLinks
This repo contains demonstrations of an extensible Crystal Structure Type Recognition Network (CSTRNet), which consists of a variable number of submodels (RCNet: Resnet-Confidence Network).
☆12Updated last year
Alternatives and similar repositories for CrySTINet
Users that are interested in CrySTINet are comparing it to the libraries listed below
Sorting:
- A Python package for LAMMPS analysis tools☆12Updated 6 months ago
- Patch-based Convlutional Encoder for vibrational spectrum recognition☆13Updated last year
- Code used to reproduce the hierarchical cluster analysis figures in the article.☆13Updated last year
- A software for automating materials science computations☆33Updated this week
- Deep-Learning-Based Components Identification for Raman Spectroscopy☆48Updated 5 years ago
- Repository for links to software packages and databases used in deep-learning applications for materials science☆148Updated 5 months ago
- [ICLR 2025] SimXRD-4M: Big Simulated X-ray Diffraction Data and Crystalline Symmetry Classification Benchmark☆15Updated 5 months ago
- Deep learning for crystal-structure recognition and analysis of atomic structures☆44Updated last year
- Corresponding dataset and tools for the AdsorbML manuscript.☆41Updated 8 months ago
- A package to process electrochemical results from atomistic simulations.☆15Updated 2 months ago
- Code complementing the report "Simulating Raman spectra: A CP2K-based implementation and its application to defective graphene nanoribbon…☆11Updated 5 years ago
- ☆15Updated 11 months ago
- ☆22Updated 11 months ago
- Screening the Materials Project for novel materials to be synthesized by the autonomous laboratory (A-Lab).☆46Updated 2 years ago
- ☆44Updated this week
- ☆29Updated 3 years ago
- a package for developing machine learning-based chemically accurate energy and density functional models☆113Updated 5 months ago
- Crystal graph attention neural networks for materials prediction☆28Updated 2 years ago
- Some examples of using pymatgen code☆23Updated last year
- Classical force field model for simulating atomic force microscopy images.☆59Updated this week
- High-throughput calculation framework for VASP☆25Updated last month
- BAMBOO (Bytedance AI Molecular BOOster) is an AI-driven machine learning force field designed for precise and efficient electrolyte simu…☆125Updated 5 months ago
- Package to use an FCN to learn defects from STEM imaging☆25Updated 2 years ago
- Generating Deep Potential with Python☆69Updated 3 weeks ago
- Reaction Network is a Python package for predicting likely inorganic chemical reaction pathways using graph theoretical methods. Project …☆117Updated 8 months ago
- Matbench: Benchmarks for materials science property prediction☆167Updated last year
- Python API to control programmable potentiostats☆33Updated 9 months ago
- KIM-based Learning-Integrated Fitting Framework for interatomic potentials.☆38Updated last week
- Genetic Algorithm Machine Learning (GAML) software package for automated force field parameterization.☆15Updated 4 years ago
- SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS☆118Updated 6 months ago