zhichunguo / GraSeqView external linksLinks
GraSeq: Graph and Sequence Fusion Learning for Molecular Property Prediction. In CIKM 2020.
☆16Feb 10, 2021Updated 5 years ago
Alternatives and similar repositories for GraSeq
Users that are interested in GraSeq are comparing it to the libraries listed below
Sorting:
- A web based application predicts water solubility of any given chemical compound known or unknown☆14Jul 4, 2021Updated 4 years ago
- ☆17Mar 11, 2023Updated 2 years ago
- ☆16Jul 27, 2021Updated 4 years ago
- Quantum Chemistry is awesome. Throw your textbook in the garbage, light the garbage can on fire, and blend the ashes into your cold brew …☆22Dec 16, 2022Updated 3 years ago
- Junctional Tree Variational Auto-encoder☆27Feb 14, 2020Updated 6 years ago
- FraGAT: a fragment-oriented multi-scale graph attention model for molecular property prediction☆28Apr 25, 2021Updated 4 years ago
- PyTorch-based Neural Graph Fingerprint for Organic Molecule Representations☆27Jul 31, 2020Updated 5 years ago
- A Spatial-temporal Gated Attention Module for Molecular Property Prediction Based on Molecular Geometry☆32Apr 17, 2021Updated 4 years ago
- This module includes functions that can be used to simulate mechanochemical phenomena.☆11Nov 16, 2021Updated 4 years ago
- All things manipulating, quantifying, and visualizing geochemical data☆12Jan 19, 2024Updated 2 years ago
- Few-Shot Graph Learning for Molecular Property Prediction☆138Feb 20, 2023Updated 2 years ago
- Code for "Lipophilicity Prediction with Multitask Learning and Molecular Substructures Representation" paper. Machine Learning for Molecu…☆32Sep 23, 2021Updated 4 years ago
- The source code for ADME@NCATS application that hosts prediction models for ADME properties. Link to application: https://opendata.ncats.…☆39Feb 3, 2026Updated last week
- A simple OpenGL 3.2 example using MSVS 2010 and freeglut☆12Feb 4, 2013Updated 13 years ago
- A LLM-based Agent Framework for Drug Discovery☆20Jan 11, 2026Updated last month
- Fragment Graphical Variational AutoEncoding for Screening and Generating Molecules☆14Nov 21, 2022Updated 3 years ago
- PDNET: A fully open-source framework for deep learning protein real-valued distances☆36May 30, 2021Updated 4 years ago
- Graph neural network for predicting energy of known and hypothetical crystal structures☆10Jan 26, 2022Updated 4 years ago
- Detect interesting SARS-CoV-2 spike protein variants from Sanger sequencing data.☆11Apr 15, 2022Updated 3 years ago
- Calculating paramagnetic NMR effects in proteins☆10May 20, 2022Updated 3 years ago
- Scotch pipeline for indel calling.☆10Nov 25, 2019Updated 6 years ago
- Atom2Vec: a simple way to describe atoms for machine learning☆37Feb 23, 2024Updated last year
- The implementation of the paper "Multi-Modal Representation Learning for Molecular Property Prediction: Sequence, Graph, Geometry".☆50Dec 18, 2024Updated last year
- Deep learning for molecules quantum chemistry properties prediction☆40Apr 14, 2021Updated 4 years ago
- Unofficially Implements https://arxiv.org/abs/2112.05682 to get Linear Memory Cost on Attention for PyTorch☆12Jan 16, 2022Updated 4 years ago
- Resources for Drug Repurposing In Alzheimer's Disease (DRIAD) work☆11Mar 4, 2021Updated 4 years ago
- A Haskell implementation of the tiger compiler☆10May 2, 2020Updated 5 years ago
- Peptide Correlation analysis☆11Oct 3, 2024Updated last year
- predicting AlogP with machine or deep learning☆10Feb 28, 2021Updated 4 years ago
- [ICLR 2026] Optimization-free Dataset Distillation for Object Detection. Paper at: https://arxiv.org/abs/2506.01942☆22Jan 26, 2026Updated 2 weeks ago
- Beyond Pixels: Semi-Supervised Semantic Segmentation with a Multi-scale Patch-based Multi-Label Classifier (Accepted ECCV 2024)☆10May 6, 2025Updated 9 months ago
- Official code implementation of PremuNet model.☆16Jun 3, 2025Updated 8 months ago
- GNN, GCN, Molecular Solubility, RDKit, Cheminformatics☆47Jun 2, 2025Updated 8 months ago
- ☆11Jun 4, 2021Updated 4 years ago
- libhadoop is a pure c/c++ liberary for hadoop hdfs like libhdfs☆19Aug 6, 2012Updated 13 years ago
- The official code for "Advancing Multimodal Large Language Models with Quantization-Aware Scale Learning for Efficient Adaptation" | [MM2…☆14Dec 7, 2024Updated last year
- 🔍 Fit3D - An application for template-based detection of small structural motifs in protein structures and macromolecular structure data…☆11Oct 16, 2018Updated 7 years ago
- Supervised Ridge classification. Machine learning algorithms applied to classification machine learning problems☆12Jul 18, 2023Updated 2 years ago
- Course project for CS410. Drug Molecular Toxicity Prediction with GCN + Cloud ML Infra.☆10Apr 6, 2021Updated 4 years ago