bigdata-ustc / QM9nano4USTCLinks
中科大数据科学导论课程实验-QM9数据集
☆32Updated 6 years ago
Alternatives and similar repositories for QM9nano4USTC
Users that are interested in QM9nano4USTC are comparing it to the libraries listed below
Sorting:
- ☆77Updated 2 years ago
- ☆114Updated last year
- ☆190Updated 2 years ago
- A DGL implementation of "Directional Message Passing for Molecular Graphs" (ICLR 2020).☆21Updated 2 years ago
- ☆58Updated 4 years ago
- ☆65Updated 4 years ago
- Scalable graph neural networks for materials property prediction☆63Updated 2 years ago
- Three-Dimensionally Embedded Graph Convolutional Network (3DGCN) for Molecule Interpretation☆54Updated 6 years ago
- Deep learning for molecules quantum chemistry properties prediction☆40Updated 4 years ago
- Pytorch Repository for our work: Graph convolutional neural networks with global attention for improved materials property prediction☆84Updated last year
- MoFlow: an invertible flow model for generating molecular graphs☆146Updated 2 years ago
- Graph Neural Networks for Quantum Chemistry☆128Updated 7 years ago
- Codes for "Property-Aware Relation Networks for Few-shot Molecular Property Prediction (NeurIPS 2021)".☆52Updated 3 years ago
- [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"☆33Updated last year
- ☆96Updated 7 months ago
- Active learning☆28Updated 5 years ago
- Efficient Learning of Message Passing Neural Networks for Molecular Property Production☆18Updated 5 years ago
- A Spatial-temporal Gated Attention Module for Molecular Property Prediction Based on Molecular Geometry☆32Updated 4 years ago
- github for "Molecular generative model based on conditional variational autoencoder for de novo molecular design"☆107Updated 3 years ago
- Heterogeneous Molecular Graph Neural Network☆28Updated 5 years ago
- ☆25Updated 10 months ago
- G-SchNet - a generative model for 3d molecular structures☆145Updated 2 years ago
- MolRep: A Deep Representation Learning Library for Molecular Property Prediction☆129Updated last year
- Junctional Tree Variational Auto-encoder☆27Updated 5 years ago
- ☆19Updated 2 years ago
- Official PyTorch implementation of "Molecular Representation Learning via Heterogeneous Motif Graph Neural Networks"☆37Updated 3 years ago
- MCMG_V1☆76Updated 3 years ago
- Implementation of Learning Gradient Fields for Molecular Conformation Generation (ICML 2021).☆172Updated 4 years ago
- ☆47Updated 2 years ago
- ☆58Updated 4 years ago