中科大数据科学导论课程实验-QM9数据集
☆33Dec 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 7 years ago
- A Spatial-temporal Gated Attention Module for Molecular Property Prediction Based on Molecular Geometry☆32Apr 17, 2021Updated 5 years ago
- Accelerated Design of Layered Materials with Bayesian Optimization☆20Dec 10, 2018Updated 7 years ago
- Deep learning for molecules quantum chemistry properties prediction☆40Apr 14, 2021Updated 5 years ago
- EC-Conf: An Ultra-fast Diffusion Model for Molecular conformation Generation with Equivariant Consistency☆12Mar 28, 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.
- Implementation of AEMDA for inferring potential disease-miRNA associations.☆13Apr 13, 2021Updated 5 years ago
- A DGL implementation of "Directional Message Passing for Molecular Graphs" (ICLR 2020).☆21Oct 21, 2023Updated 2 years ago
- A biological dual-language foundation model☆12Jun 16, 2025Updated 11 months ago
- PAT题解(C/C++/JAVA)☆14Apr 3, 2020Updated 6 years ago
- Algorithm for identifying hydrogen bond networks in CG proteins to implement Go-like Martini 3 models☆17Oct 25, 2024Updated last year
- Implementation of the Paper "Physics Informed Diffusion Model for Protein Pocket Specific 3D Molecular Generation" published in Computers…☆14Mar 14, 2024Updated 2 years ago
- ☆16Feb 17, 2025Updated last year
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆38Jan 23, 2024Updated 2 years ago
- Main code repository for the PLUMED-GUI plugin for VMD☆17Jan 22, 2026Updated 4 months ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- ☆18May 16, 2026Updated last week
- Research sources on graph-based anomaly detection☆13Nov 29, 2022Updated 3 years ago
- Generate 3D transition state geometries with GNNs☆13Oct 13, 2020Updated 5 years ago
- General Intermolecular Force Field based on Tight-Binding Quantum Chemical Calculations☆11Dec 22, 2021Updated 4 years ago
- ☆15Apr 8, 2023Updated 3 years ago
- A performance-oriented prototyping harness for state of the art Molecular Dynamics algorithms☆17May 20, 2026Updated last week
- Predicting Biomedical Interactions with Higher-Order Graph Convolutional Networks☆16Nov 9, 2021Updated 4 years ago
- ☆10Jul 19, 2021Updated 4 years ago
- G-SchNet - a generative model for 3d molecular structures☆146Mar 24, 2023Updated 3 years 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.
- Official repository for MolCRAFT series☆154Oct 27, 2025Updated 7 months ago
- XMU Chenglab Wiki☆103Jul 7, 2025Updated 10 months ago
- MDverse web scrapper 🔎🔧📄☆15Feb 21, 2026Updated 3 months ago
- Knowledge graph Entity and Word Embeddings for Retrieval☆11Nov 19, 2021Updated 4 years ago
- The tool provides the option to download from Mapillary v4 all kind of vector data and street imagery for a given region☆12Nov 7, 2022Updated 3 years ago
- Materials representation plays a key role in machine learning based prediction of materials properties and new materials discovery. Curre…☆13Jan 15, 2021Updated 5 years ago
- Coming Soon...☆10Mar 14, 2022Updated 4 years ago
- ☆17Feb 10, 2023Updated 3 years ago
- MARL: the model of the IJCAI 2020 paper 'Retrieve, Program, Repeat: Complex Knowledge Base Question Answering via Alternate Meta-learning…☆13Oct 8, 2020Updated 5 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.
- [NeurIPS 2022] GAMA: Generative Adversarial Multi-Object Scene Attacks☆19Sep 5, 2023Updated 2 years ago
- An introduction to DFT.☆14May 17, 2024Updated 2 years ago
- DeepSPIN method for deep learning potential of magnetic systems☆19Jun 4, 2023Updated 2 years ago
- ☆61Apr 10, 2022Updated 4 years ago
- pyCSH: automated generation of realistic bulk calcium silicate hydrate (C-S-H) structures.☆12Jun 26, 2024Updated last year
- An attention-based deep neural network for thermoelectric transport properties☆18Apr 5, 2023Updated 3 years ago
- Deep Coarse-grained Potentials via Relative Entropy Minimization☆18Feb 22, 2023Updated 3 years ago