Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism
☆22Sep 22, 2023Updated 2 years ago
Alternatives and similar repositories for GASA
Users that are interested in GASA are comparing it to the libraries listed below
Sorting:
- An Integrative Drug Repurposing Pipeline using KNIME and Programmatic Data Access: A case study on COVID-19 Data☆15Sep 29, 2020Updated 5 years ago
- MolDesigner: Interactive Design of Efficacious Drugs with Deep Learning (NeurIPS 2020 Demo)☆16Nov 27, 2020Updated 5 years ago
- LigTMap currently supports prediction for 17 protein target classes that include 6000+ protein targets.☆16Feb 20, 2021Updated 5 years ago
- ☆10Sep 25, 2019Updated 6 years ago
- Source code of the paper "Prediction of Molecular Absorption Wavelength Using Deep Neural Networks"☆10May 29, 2022Updated 3 years ago
- Graphormer-IR is an extension of the Graphormer framework, specifically to perform predictions of infrared spectra using only chemical st…☆13May 16, 2025Updated 9 months ago
- Repo hosting the MetFrag website☆10Jan 24, 2025Updated last year
- ☆13Sep 4, 2021Updated 4 years ago
- Source code for Single-step Retrosynthesis Prediction by Leveraging Commonly Preserved Substructures☆14Jun 9, 2023Updated 2 years ago
- Implementation of graph convolutional networks to predict chromatographic retention times.☆15Sep 7, 2021Updated 4 years ago
- a deep learning framework for essential protein prediction☆13Mar 24, 2023Updated 2 years ago
- Supporting models and data to doi 10.1021/acs.jcim.1c01163☆15Oct 11, 2022Updated 3 years ago
- ☆18Aug 5, 2023Updated 2 years ago
- ☆14Jul 5, 2022Updated 3 years ago
- ☆13Dec 18, 2019Updated 6 years ago