中科大数据科学导论课程实验-QM9数据集
☆32Dec 20, 2019Updated 6 years ago
Alternatives and similar repositories for QM9nano4USTC
Users that are interested in QM9nano4USTC are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Deep Learning Analysis of Defect and Phase Evolution During Electron Beam Induced Transformations in WS2☆13Aug 14, 2018Updated 8 years ago
- A DGL implementation of "Directional Message Passing for Molecular Graphs" (ICLR 2020).☆21Oct 21, 2023Updated 2 years ago
- ☆11May 10, 2024Updated 2 years ago
- A biological dual-language foundation model☆11Jun 16, 2025Updated last year
- ☆10Feb 12, 2025Updated last year
- 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.
- Predicting Biomedical Interactions with Higher-Order Graph Convolutional Networks☆16Nov 9, 2021Updated 4 years ago
- Generate 3D transition state geometries with GNNs☆13Oct 13, 2020Updated 6 years ago
- pyCSH: automated generation of realistic bulk calcium silicate hydrate (C-S-H) structures.☆13Jun 26, 2024Updated 2 years ago
- ☆13Jul 19, 2020Updated 6 years ago
- G-SchNet - a generative model for 3d molecular structures☆146Mar 24, 2023Updated 3 years ago
- OMNI-P2x: A universal neural network potential for excited states☆16Mar 19, 2026Updated 6 months ago
- ☆10Jul 19, 2021Updated 5 years ago
- Research sources on graph-based anomaly detection☆13Nov 29, 2022Updated 3 years ago
- Materials representation plays a key role in machine learning based prediction of materials properties and new materials discovery. Curre…☆12Jan 15, 2021Updated 5 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.
- Knowledge graph Entity and Word Embeddings for Retrieval☆11Nov 19, 2021Updated 4 years ago
- A Web Platform for molecular dynamics automation☆42Jul 26, 2026Updated 2 months ago
- General Intermolecular Force Field based on Tight-Binding Quantum Chemical Calculations☆11Dec 22, 2021Updated 4 years ago
- XMU Chenglab Wiki☆110Sep 28, 2026Updated 2 weeks ago
- ☆18May 16, 2026Updated 5 months ago
- Coming Soon...☆10Mar 14, 2022Updated 4 years ago
- A performance-oriented prototyping harness for state of the art Molecular Dynamics algorithms☆18Oct 5, 2026Updated last week
- model builder for molecular dynamics simulations☆16Feb 16, 2023Updated 3 years ago
- Main code repository for the PLUMED-GUI plugin for VMD☆17Jan 22, 2026Updated 8 months ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- MARL: the model of the IJCAI 2020 paper 'Retrieve, Program, Repeat: Complex Knowledge Base Question Answering via Alternate Meta-learning…☆13Oct 8, 2020Updated 6 years ago
- Knowledge Graph Simple Question Answering for Unseen Domains☆13Jul 2, 2025Updated last year
- ☆61Apr 10, 2022Updated 4 years ago
- MDverse web scrapper 🔎🔧📄☆15Feb 21, 2026Updated 7 months ago
- ☆16Feb 10, 2023Updated 3 years ago
- ☆15Feb 17, 2025Updated last year
- An attention-based deep neural network for thermoelectric transport properties☆18Apr 5, 2023Updated 3 years ago
- download and prepare a pdb file for docking wth Vina-flavoured algorithms☆13Oct 11, 2021Updated 5 years ago
- Démonstration des animations en cinématique inverse (Inverse Kinematics ou IK) du moteur de jeu Unity et développement de mon système d'I…☆15Aug 5, 2020Updated 6 years ago
- 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.
- Procedural wings for KSP (by DYJ)☆10Jun 14, 2017Updated 9 years ago
- Code for ICML 2023 paper "Reprogramming Pretrained Language Models for Antibody Sequence Infilling"☆25Sep 18, 2025Updated last year
- ☆12Jan 7, 2020Updated 6 years ago
- “达观杯”NLP算法挑战赛 竞赛成绩:排名前1%(29/2885)☆16Sep 24, 2018Updated 8 years ago
- Collection of ANalysis DEsigned for Large-scale Atomic simulations☆13Jan 21, 2025Updated last year
- An introduction to DFT.☆15May 17, 2024Updated 2 years ago
- ☆14May 26, 2021Updated 5 years ago