Graph Convolutional Network tools for life science
☆11Nov 20, 2020Updated 5 years ago
Alternatives and similar repositories for kGCN_torch
Users that are interested in kGCN_torch are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A Graph Neural Network (Geometric machine learning) for molecular generation☆21Aug 12, 2019Updated 7 years ago
- Message Passing Neural Networks for Molecule Property Prediction☆12Jan 17, 2020Updated 6 years ago
- Interpreting graph convolutional filters of target prediction network☆47Mar 8, 2019Updated 7 years ago
- ☆51May 25, 2024Updated 2 years ago
- Code for "IDL-PPBopt: A Strategy for Prediction and Optimization of Human Plasma Protein Binding of Compounds via an Interpretable Deep L…☆11Apr 1, 2023Updated 3 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.
- Store your chemical data in a single file!☆13May 7, 2025Updated last year
- A graph-based deep learning framework for life science☆122Aug 3, 2023Updated 3 years ago
- Autoencoder network for learning a continuous representation of molecular structures.☆28Nov 20, 2016Updated 9 years ago
- ACGCN: Graph Convolutional Networks for Activity Cliff Prediction Between Matched Molecular Pairs (Park et al., 2022)☆20Feb 10, 2023Updated 3 years ago
- ☆50Jan 6, 2020Updated 6 years ago
- Hierarchical Inter-Message Passing for Learning on Molecular Graphs☆80Dec 7, 2021Updated 4 years ago
- 「機械学習による分子最適化」のサポートページ☆14Jan 31, 2024Updated 2 years ago
- ☆50Sep 12, 2017Updated 8 years ago
- ☆13Jul 24, 2024Updated 2 years ago
- 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.
- ☆59Nov 21, 2018Updated 7 years ago
- Coloring molecules with explainable artificial intelligence☆16Feb 8, 2021Updated 5 years ago
- ☆10Sep 25, 2019Updated 6 years ago
- A novel hybrid method for generating molecules with desired property scores.☆42Oct 26, 2021Updated 4 years ago
- ☆69May 11, 2022Updated 4 years ago
- Source codes for 'A baseline for reliable molecular prediction models via Bayesian learning'☆29Nov 16, 2020Updated 5 years ago
- Heterogeneous Molecular Graph Neural Network☆28Sep 29, 2020Updated 5 years ago
- Molecular graph neural networks for predicting chemical properties, with a focus on fuels☆34Jul 23, 2026Updated 3 weeks ago
- ☆12Jul 3, 2021Updated 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.
- ☆14Sep 4, 2021Updated 4 years ago
- Two algorithms to fragment molecules into specified molecular subunits (e.g. functional groups)☆35Feb 15, 2022Updated 4 years ago
- ☆22Feb 16, 2024Updated 2 years ago
- Python wrapper for OSRA. Supports R-Group logic and integration with ChemSchematicResolver☆10Apr 4, 2020Updated 6 years ago
- Supporting code for the paper «Generative molecular design in low data regimes»☆64Jun 22, 2021Updated 5 years ago
- ☆40Oct 12, 2023Updated 2 years ago
- A library to interface molecules and machine learning.☆62Jul 31, 2019Updated 7 years ago
- G-SchNet - a generative model for 3d molecular structures☆144Mar 24, 2023Updated 3 years ago
- repository for Group-contribution based Graph neural Networks☆19Mar 27, 2026Updated 4 months ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Pytorch Repository for our work: Graph convolutional neural networks with global attention for improved materials property prediction☆87Dec 17, 2024Updated last year
- A tool for filling C/C++ or Fortran data structures from Lua input tables☆16Apr 7, 2026Updated 4 months ago
- ☆13Jun 9, 2021Updated 5 years ago
- Probabilistic Inference for NOvel Therapeutics☆15Feb 5, 2022Updated 4 years ago
- 『Pythonで動かしてはじめる量子化学計算』（コロナ社，2024）☆24Jun 5, 2024Updated 2 years ago
- Transport solver for coupling with turbulence☆17Jul 26, 2023Updated 3 years ago
- A package to identify matched molecular pairs and use them to predict property changes.☆24Apr 30, 2024Updated 2 years ago