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:
- Code for Pre-training Protein Encoder via Siamese Sequence-Structure Diffusion Trajectory Prediction (https://arxiv.org/abs/2301.12068)☆41Jul 9, 2023Updated 2 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
- 经典机器学习算法手写实现，持续更新……☆13Mar 2, 2023Updated 3 years ago
- Nano Prot GPT: NanoGPT on protein sequences☆20Mar 10, 2023Updated 3 years ago
- ☆16May 23, 2023Updated 3 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Automatically exported from code.google.com/p/cufflink-library☆13Jan 15, 2016Updated 10 years ago
- Atomic Structure Generation from Reconstructing Structural Fingerprints☆15Oct 6, 2022Updated 3 years ago
- Improving protein function prediction with synthetic feature samples created by generative adversarial networks☆22Oct 6, 2020Updated 5 years ago
- V2 of CodeGraphy. VSCode force-based graph extension for displaying file connections☆15Jun 10, 2023Updated 3 years ago
- Inpainting protein sequence and structure☆12Nov 10, 2023Updated 2 years ago
- List of papers on protein binding site prediction☆11Aug 11, 2023Updated 2 years ago
- ☆14Jul 4, 2022Updated 4 years ago
- ☆12Apr 25, 2022Updated 4 years ago
- Codebase of the paper "Aligning Protein Conformation Ensemble Generation with Physical Feedback" (ICML 2025)☆18Jul 6, 2025Updated 11 months 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.
- Official repository of "Multi-level Interaction Modeling for Protein Mutational Effect Prediction"☆11Jun 30, 2024Updated 2 years ago
- 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 7 months ago
- Code for ICLR'24 Paper "Decoupling Weighing and Selecting for Integrating Multiple Graph Pre-training Tasks"☆10Mar 12, 2024Updated 2 years ago
- Chemical Science 2023: An equivariant generative framework for molecular graph-structure Co-design☆10Jun 18, 2023Updated 3 years ago
- In this project, we provide a strong template for a PyTorch project. The purpose of this repository is to provide an example (and strong …☆15Apr 21, 2021Updated 5 years ago
- Graph Neural Networks for Drug Efficacy Prediction☆12Sep 11, 2022Updated 3 years ago
- ☆12Nov 16, 2023Updated 2 years ago
- ☆24Nov 28, 2025Updated 7 months ago
- Code for humanization of antibody and nanobody☆88Aug 28, 2025Updated 10 months 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.
- ☆11May 29, 2023Updated 3 years ago
- A cyclic peptide-protein complex dataset derived from AFDB.☆57Mar 17, 2026Updated 3 months ago
- Source code of Venus-MAXWELL: Efficient Learning of Protein-Mutation Stability Landscapes using Protein Language Models☆25Jun 3, 2025Updated last year
- Analyzing different stocks listed on the NASDAQ stock market☆13Dec 5, 2020Updated 5 years 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
- ☆10Nov 7, 2024Updated last year
- A DGL implementation of "Directional Message Passing for Molecular Graphs" (ICLR 2020).☆21Oct 21, 2023Updated 2 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- 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 2 years ago
- ☆21May 28, 2025Updated last year
- 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
- AI for a cure, a combination of Latent-GAN and VAE-JTNN to create 100% valid drug like molecules☆10Mar 16, 2020Updated 6 years ago
- 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