Multi-source transfer learning of materials properties with mixture of experts [npj Computational Materials]
☆12Jun 16, 2023Updated 3 years ago
Alternatives and similar repositories for MoE
Users that are interested in MoE are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆13Jun 29, 2025Updated last year
- An Autonomous CodeAgent for End-to-End Computational Materials Science.☆13Sep 30, 2026Updated last month
- CGCNN with personal modifications for defect calculations☆15Jan 19, 2024Updated 2 years ago
- ☆20Jun 21, 2025Updated last year
- ☆17Jun 24, 2024Updated 2 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.
- Adds Orb Model functionality to LAMMPS via Python wrapping☆15Apr 1, 2025Updated last year
- 纪念币预约☆10Aug 11, 2026Updated 2 months ago
- ☆13Dec 15, 2023Updated 2 years ago
- Terminal based crystal structure viewer☆16Jun 19, 2026Updated 4 months ago
- This repository curates open-source models and related resources for the PXRD to crystal structure generation task.☆21Oct 30, 2026Updated last week
- Using the CGCNN transfer learning model to pridict the voltages of many kinds of metal-ion battery electrodes☆12Aug 23, 2022Updated 4 years ago
- The code corresponding to Transfer Learning for a Foundational Chemistry Model☆14Dec 5, 2023Updated 2 years ago
- ☆12Feb 14, 2024Updated 2 years ago
- Descriptors (isometry invariants) of crystals based on geometry.☆44Sep 6, 2026Updated 2 months ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- Datasets used in the tox21 challenge☆11Nov 6, 2019Updated 7 years ago
- Adaptive checkpointing with specialization☆11Jul 9, 2025Updated last year
- DenseGNN: universal and scalable deeper graph neural networks for high-performance property prediction in crystals and molecules☆30Jan 3, 2025Updated last year
- ☆11Sep 2, 2024Updated 2 years ago
- Centered native macOS permission dialog for Claude Code, with risk-tiered Always-allow.☆15Updated this week
- Carcinogenicity prediction with graph neural networks☆11Feb 28, 2023Updated 3 years ago
- Fragment Linker Prediction Using Deep Encoder-Decoder Network for PROTAC Drug Design☆13Oct 2, 2023Updated 3 years ago
- The notes for pytorch geometric learning☆10Jul 5, 2020Updated 6 years ago
- The PyTorch implementation of ML framework for predicting band structure, taking an example of graphene nanoribbon systems.☆12Oct 6, 2022Updated 4 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.
- LABind: Identifying Protein Binding Ligand-Aware Sites via Learning Interactions Between Ligand and Protein☆18Aug 21, 2025Updated last year
- ☆28Jul 28, 2023Updated 3 years ago
- PPI Affinity Prediction☆12Nov 15, 2025Updated 11 months ago
- Further development of FINALES☆15Mar 6, 2026Updated 8 months ago
- Self-Attention Graph Pooling [ICML-2019]☆10Apr 19, 2024Updated 2 years ago
- Code related to the paper "Asynchronous Batch Bayesian Optimisation with Improved Local Penalisation"☆13May 8, 2019Updated 7 years ago
- [IEEE TGRS] SphereNet: Learning a Noise-Robust and General Descriptor for Point Cloud Registration☆19Dec 24, 2023Updated 2 years ago
- Ribo-seq data analysis tool☆10Sep 10, 2019Updated 7 years ago
- ☆14Jul 17, 2024Updated 2 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- The code used in the work “Inverse Design of Promising Alloys for Electrocatalytic CO2 Reduction via Generative Graph Neural Networks Com…☆18Jun 28, 2025Updated last year
- ☆14Apr 12, 2026Updated 6 months ago
- ☆11Mar 7, 2023Updated 3 years ago
- Store your chemical data in a single file!☆13May 7, 2025Updated last year
- Code for "IDL-PPBopt: A Strategy for Prediction and Optimization of Human Plasma Protein Binding of Compounds via an Interpretable Deep L…☆11Apr 1, 2023Updated 3 years ago
- Accelerating superconductor discovery through tempered deep learning of the electron-phonon spectral function☆11Aug 20, 2024Updated 2 years ago
- GNN property predictor -> molecular generator☆36Aug 14, 2025Updated last year