☆20Jun 3, 2022Updated 4 years ago
Alternatives and similar repositories for MEGNet_PyTorch
Users that are interested in MEGNet_PyTorch are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Here you can find HSE algo lectures 2019☆14Jun 9, 2020Updated 6 years ago
- Metadynamics code on the G-space.☆16Jan 14, 2026Updated 4 months ago
- ☆27Dec 8, 2022Updated 3 years ago
- Using the CGCNN transfer learning model to pridict the voltages of many kinds of metal-ion battery electrodes☆11Aug 23, 2022Updated 3 years ago
- a universal machine learning model for predicting properties of Chemical Compounds☆11Sep 30, 2019Updated 6 years ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Self-supervised learning course at CS HSE☆12May 24, 2023Updated 3 years ago
- Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals☆557Apr 27, 2023Updated 3 years ago
- Supervised Regression using SVR and Neural Networks for Early Prediction of End-of-Life in Lithium-ion Batteries☆12Dec 24, 2023Updated 2 years ago
- ☆12Sep 24, 2024Updated last year
- Graph-Based Force Fields Model to parameterize Force Fields by Graph Attention Networks☆10Apr 9, 2024Updated 2 years ago
- ☆12Jun 26, 2023Updated 2 years ago
- ☆11Jul 30, 2025Updated 10 months ago
- Identification of the Dominant Recombination Process for Perovskite Solar Cells Based on Machine Learning☆17Oct 27, 2020Updated 5 years ago
- Accelerating Defect Prediction in Semiconductors Using Graph Neural Networks☆15Dec 9, 2024Updated last year
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- "Lithium-Ion Battery Life Prediction Based on Initial Stage-Cycles Using Machine Learning"--PCA Model☆11Jan 19, 2020Updated 6 years ago
- Python package and CLI tool for social choice functions☆14Jun 20, 2021Updated 4 years ago
- Calculates the pair distribution function (PDF) of a POSCAR file.☆12Mar 7, 2016Updated 10 years ago
- Predicting new perovskites with ensemble Machine Learning algorithms☆16Nov 8, 2025Updated 7 months ago
- A disitributed implementation of alphafold3 base on xfold and tpp-pytorch-extension☆12Mar 26, 2026Updated 2 months ago
- ☆12Mar 12, 2023Updated 3 years ago
- ☆11Jun 17, 2024Updated last year
- ☆22May 27, 2026Updated 2 weeks ago
- AlphaCrytal: Contact map based deep learning algorithm for crystal structure prediction☆11Aug 18, 2023Updated 2 years 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.
- ☆19Oct 27, 2020Updated 5 years ago
- ☆14Jun 25, 2021Updated 4 years ago
- [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"☆173Apr 14, 2025Updated last year
- Predict the band gap energy for inorganic materials☆20Apr 21, 2024Updated 2 years ago
- Code for the AAAI-2021 paper: C2C-GenDA: Cluster-to-Cluster Generation for Data Augmentation of Slot Filling☆16Mar 9, 2021Updated 5 years ago
- Deprecated - see `pair_nequip_allegro`☆44Apr 25, 2025Updated last year
- Minimal implementation of graph attention student model architecture☆12Apr 15, 2026Updated last month
- Machine learning based RUL prediction of lithium ion battery☆14Mar 11, 2023Updated 3 years ago
- What are the best Systems? New Perspectives on NLP Benchmarking☆13Mar 16, 2023Updated 3 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Reference implementation of the paper "Efficient and Scalable Graph Generation through Iterative Local Expansion"☆17Aug 27, 2025Updated 9 months ago
- A Python/Fortran order parameter analysis library☆14Dec 22, 2020Updated 5 years ago
- An implementation of parallel Boruvka's algorithm written in C++ using OpenMP.☆17May 14, 2020Updated 6 years ago
- Pytorch implementation of MPNN for Quantum Chemistry☆18Nov 7, 2024Updated last year
- Integrated software for comprehensive BMS strategy validation, SOC accuracy estimation, cell boundary definition, and battery data analys…☆15Jul 31, 2024Updated last year
- ☆19Jul 1, 2023Updated 2 years ago
- Correlation: A high-performance, Material Design GUI tool for the structural and dynamic analysis of liquids, amorphous solids, and cryst…☆21Updated this week