☆19Apr 26, 2026Updated 3 months ago
Alternatives and similar repositories for MatDeepLearn_dev
Users that are interested in MatDeepLearn_dev are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆33Jul 14, 2024Updated 2 years ago
- CrysXPP: An Explainable Property Predictor for Crystalline Materials (NPJ Computational Materials - 2022)☆20Jul 4, 2023Updated 3 years ago
- Crystal Edge Graph Attention Neural Network☆24Jun 17, 2024Updated 2 years ago
- Autonomous Materials Discovery with Large Language Models☆22Oct 23, 2024Updated last year
- Atomic Structure Generation from Reconstructing Structural Fingerprints☆15Oct 6, 2022Updated 3 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Repository for effective resistance sampling code to create network sparsifiers.☆11Dec 1, 2021Updated 4 years ago
- TFN layers built using Tensorflow 2☆15Jul 15, 2021Updated 5 years ago
- MatDeepLearn, package for graph neural networks in materials chemistry☆205Mar 20, 2023Updated 3 years ago
- The source code of PGD-VAE☆12Dec 8, 2022Updated 3 years ago
- pymatgen-analysis-alloys is an add-on package for pymatgen intended to contain useful classes for describing alloy systems and analyzing …☆19Apr 24, 2026Updated 3 months ago
- Transformer for End to End Molecule Property Prediction☆11Jun 1, 2022Updated 4 years ago
- Example using sqlite with a Pytorch Dataset Interface☆16Aug 13, 2019Updated 6 years ago
- Accelerated design for high entropy alloys based on machine learning and multi-objective optimization☆14Dec 27, 2023Updated 2 years ago
- A repository for the LLM-Prop implementation☆57Jan 31, 2026Updated 6 months ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Graph-Based Force Fields Model to parameterize Force Fields by Graph Attention Networks☆10Apr 9, 2024Updated 2 years ago
- Structure-based out-of-distribution (OOD) material property prediction: a benchmark study☆15May 17, 2025Updated last year
- [AAAI 2024] Official repository for "Rethinking Dimensional Rationale in Graph Contrastive Learning from Causal Perspective"☆14Dec 8, 2024Updated last year
- ☆12Mar 12, 2023Updated 3 years ago
- Convert a POSCAR-format-like file to a XSF file (visualized by XCrySDen)☆18Apr 19, 2022Updated 4 years ago
- Uncertainty Quantification for Materials Property Prediction: a Benchmark Study☆17Aug 19, 2024Updated last year
- AlphaCrytal: Contact map based deep learning algorithm for crystal structure prediction☆11Aug 18, 2023Updated 2 years ago
- Official code implementation of PremuNet model.☆17Jun 3, 2025Updated last year
- CartNet repository to predict properties from crystal structures☆16Sep 23, 2025Updated 10 months ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Repository for PseudopotentialLibrary.org website and database☆17Jun 29, 2026Updated last month
- ☆14Jun 25, 2021Updated 5 years ago
- Atomistic Line Graph Neural Network https://scholar.google.com/citations?user=9Q-tNnwAAAAJ https://www.youtube.com/@dr_k_choudhary☆328Aug 25, 2025Updated 11 months ago
- Minimal implementation of graph attention student model architecture☆12Jul 23, 2026Updated 2 weeks ago
- Repository containing Anki Flashcards & source code to hopefully learn/revise any language☆13Jun 6, 2026Updated 2 months ago
- ☆20Jul 1, 2023Updated 3 years ago
- GraSeq: Graph and Sequence Fusion Learning for Molecular Property Prediction. In CIKM 2020.☆15Feb 10, 2021Updated 5 years ago
- ☆15Jul 13, 2025Updated last year
- Pytorch implementation of MPNN for Quantum Chemistry☆18Nov 7, 2024Updated last year
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Integrated software for comprehensive BMS strategy validation, SOC accuracy estimation, cell boundary definition, and battery data analys…☆15Jul 31, 2024Updated 2 years ago
- Physics_Informed Bayesian Optimization☆16Nov 13, 2023Updated 2 years ago
- n2v: Density-to-potential Inversion Suite☆24Aug 29, 2022Updated 3 years ago
- Implementation of a heterogeneous version of the GNN method MPNN with running code to try it out.☆22Apr 12, 2024Updated 2 years ago
- Transformer model for structure-agnostic metal-organic frameworks (MOF) property prediction☆64Jul 2, 2026Updated last month
- An overview over chemical datasets and where to find them☆17Aug 29, 2023Updated 2 years ago
- MatDeepLearn for DOS prediction☆27Aug 11, 2022Updated 4 years ago