Generative Pretrained Autoregressive Transformer Graph Neural Network applied to the Analysis and Discovery of Materials
☆16Aug 9, 2023Updated 2 years ago
Alternatives and similar repositories for MateriomicTransformer
Users that are interested in MateriomicTransformer are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- The DynaGen model allows the prediction of dynamical field data based on microstructure input. The model is exemplified to dynamic fractu…☆12Mar 17, 2023Updated 3 years ago
- Code and Data for the paper: Multi-level Protein Structure Pre-training with Prompt Learning [ICLR 2023]☆33Aug 5, 2023Updated 2 years ago
- UPDATE: All future changes will be pushed to https://github.com/HICAI-ZJU/PromptProtein☆15Apr 23, 2023Updated 2 years ago
- Automatically exported from code.google.com/p/cufflink-library☆12Jan 15, 2016Updated 10 years ago
- Atomic Structure Generation from Reconstructing Structural Fingerprints☆15Oct 6, 2022Updated 3 years 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.
- Improving protein function prediction with synthetic feature samples created by generative adversarial networks☆22Oct 6, 2020Updated 5 years ago
- Code Release for Task Agnostic Dynamics Priors for Deep Reinforcement Learning☆12Jun 13, 2019Updated 6 years ago
- ☆12Sep 15, 2021Updated 4 years ago
- Python bindings for the TM-align algorithm and code for protein structure comparison developed by Zhang et al.☆66Nov 9, 2025Updated 5 months ago
- List of papers on protein binding site prediction☆11Aug 11, 2023Updated 2 years ago
- ☆14Jul 4, 2022Updated 3 years ago
- Official repository of "Multi-level Interaction Modeling for Protein Mutational Effect Prediction"☆11Jun 30, 2024Updated last year
- BC-Design: A Biochemistry-Aware Framework for High-Precision Inverse Protein Folding https://www.biorxiv.org/content/10.1101/2024.10.28.6…☆21Nov 24, 2025Updated 4 months ago
- Graph Neural Networks for Drug Efficacy Prediction☆12Sep 11, 2022Updated 3 years ago
- Serverless GPU API endpoints on Runpod - Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- ☆12Nov 16, 2023Updated 2 years ago
- [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"☆33Sep 14, 2024Updated last year
- Code for humanization of antibody and nanobody☆78Aug 28, 2025Updated 7 months ago
- A cyclic peptide-protein complex dataset derived from AFDB.☆41Mar 17, 2026Updated 3 weeks ago
- ☆11May 29, 2023Updated 2 years ago
- Source code of Venus-MAXWELL: Efficient Learning of Protein-Mutation Stability Landscapes using Protein Language Models☆23Jun 3, 2025Updated 10 months ago
- MolKGNN is a deep learning model for predicting biological activity or molecular properties. It features in 1. SE(3)-invariance 2. confor…☆14Jan 22, 2024Updated 2 years ago
- [AAAI 2024] Binding-Adaptive Diffusion Models for Structure-Based Drug Design☆21Mar 31, 2024Updated 2 years ago
- Code to accompany the paper "The Information Geometry of Unsupervised Reinforcement Learning"☆20Oct 6, 2021Updated 4 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- ☆21Jan 29, 2026Updated 2 months ago
- Notebooks showing off LangChain.js v0.1.0 features.☆20Jan 8, 2024Updated 2 years ago
- A DGL implementation of "Directional Message Passing for Molecular Graphs" (ICLR 2020).☆21Oct 21, 2023Updated 2 years ago
- The official implementation of the AAAI'24 paper Cross-Gate MLP with Protein Complex Invariant Embedding is A One-Shot Antibody Designer.☆12Dec 28, 2023Updated 2 years ago
- Code for the paper "Generating and designing DNA with deep generative models" (arXiv:1712.06148)☆42Apr 14, 2018Updated 8 years ago
- ☆12May 14, 2024Updated last year
- Prediction of Antibody CDR and protein loop flexibility☆17Sep 17, 2025Updated 6 months ago
- ☆21May 28, 2025Updated 10 months ago
- A minimal re-implementation of orthogonal fine-tuning (OFT), a diffusion method, for LLMs. Based on nanoGPT and minLoRA.☆14Nov 17, 2023Updated 2 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- This is the GitHub Repository for the paper "Charting New Avenues in Financial Forecasting with TimesNet: The Impact of Intraperiod and I…☆17Mar 18, 2024Updated 2 years ago
- Container-based Action Routing Tool (CART)☆20Aug 29, 2025Updated 7 months ago
- Official implementation of Harnessing Mixed Offline Reinforcement Learning Datasets via Trajectory Reweighting☆16Feb 14, 2024Updated 2 years ago
- Molecule Graph Generation using Graph Convolutional Networks-based Variational Graph AutoEncoders (VGAE) in PyTorch☆25Nov 7, 2024Updated last year
- Image-Based Mesh Generation☆13Apr 7, 2024Updated 2 years ago
- This repository is for the code of paper "Automated Cryptocurrency Trading Approach Using Ensemble Deep Reinforcement Learning: Learn to …☆20Sep 24, 2024Updated last year
- [ICLR 2024] ProFSA: Self-supervised Pocket Pretraining via Protein Fragment-Surroundings Alignment☆19Jun 3, 2024Updated last year