Implementation of "Semi-supervised learning of hierarchical representations of molecules using neural message passing" (arXiv:1711.10168)
☆14Jun 20, 2018Updated 8 years ago
Alternatives and similar repositories for hierarchical-molecular-learning
Users that are interested in hierarchical-molecular-learning 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 lightweight visualization tool for molecules and their properties☆16Sep 19, 2017Updated 9 years ago
- Interpreting graph convolutional filters of target prediction network☆47Mar 8, 2019Updated 7 years ago
- Code for the combinatorial synthesis library variational auto-encoder (CSLVAE) as described in the paper, "An efficient graph generative …☆14Nov 17, 2023Updated 2 years ago
- ☆17Apr 5, 2020Updated 6 years ago
- A Recurrent Neural Network implementation that uses SMILES strings to generate molecules from GDB-13☆30Jul 4, 2019Updated 7 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.
- Code release for the paper "Calibrating Energy-based Generative Adversarial Networks"☆24Oct 31, 2017Updated 8 years ago
- RDKit code for the JCIM article☆17Aug 17, 2013Updated 13 years ago
- Chainer implementation of the paper Robust Conditional Generative Adversarial Networks☆15Jul 28, 2020Updated 6 years ago
- ☆13Jul 13, 2019Updated 7 years ago
- Improved Scaffold Hopping in Ligand-based Virtual Screening Using Neural Representation Learning☆21Mar 9, 2021Updated 5 years ago
- Code for KekuleScope☆11Nov 22, 2022Updated 3 years ago
- RefDNN: a reference drug based neural network for more accurate prediction of anticancer drug resistance (Scientific Reports)☆14Apr 21, 2022Updated 4 years ago
- Variational Dropout Sparsifies Deep Neural Networks (Molchanov et al. 2017) by Chainer☆18Jun 22, 2017Updated 9 years ago
- Challenge details, inputs, and results for the SAMPL7 series of challenges☆49Nov 2, 2021Updated 4 years ago
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- Tutorial on the usage of Rdkit, Pandas, sklearn, machine learning, descriptor calculation, etc.. in the context of bioactivity predictive…☆14Sep 28, 2014Updated 12 years ago
- ☆19Sep 29, 2021Updated 4 years ago
- ☆20Sep 25, 2020Updated 6 years ago
- ☆59Nov 21, 2018Updated 7 years ago
- MOLI: Multi-Omics Late Integration with deep neural networks for drug response prediction☆54Sep 22, 2020Updated 6 years ago
- Molecular MHFP fingerprints for cheminformatics applications☆98Feb 16, 2023Updated 3 years ago
- rspatial website using terra☆13Jun 7, 2026Updated 3 months ago
- chemmodlab: A Cheminformatics Modeling Laboratory for Fitting and Assessing Machine Learning Models☆17Nov 20, 2025Updated 10 months ago
- ☆17Mar 25, 2021Updated 5 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.
- ☆34May 31, 2019Updated 7 years ago
- ☆51Oct 8, 2020Updated 5 years ago
- Semi-Supervised Regression☆12Jul 19, 2019Updated 7 years ago
- ☆102Apr 28, 2020Updated 6 years ago
- 2D molecule visualization component☆22Nov 2, 2016Updated 9 years ago
- Resources used to create the myChEMBL virtual machine☆57Mar 20, 2017Updated 9 years ago
- Code to analyze SAR datasets for Nonadditivity☆20Aug 8, 2021Updated 5 years ago
- QBMG: Quasi-Biogenic Molecule Generator with Deep Recurrent Network☆19Jan 18, 2019Updated 7 years ago
- ☆16Oct 28, 2019Updated 6 years ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- An OpenSMILES compliant C++ SMILES/SMARTS parser☆16Jul 19, 2015Updated 11 years ago
- Emap2sec is a computational tool to identify protein secondary structures☆16Jul 31, 2024Updated 2 years ago
- Files for the Genome Design/Genome Analytics Short-course organized by the SBRG☆10Nov 30, 2021Updated 4 years ago
- RL-GraphINVENT is a platform for graph-based targeted molecular generation using graph neural networks and reinforcement learning. RL-Gra…☆80May 11, 2023Updated 3 years ago
- ☆68Mar 11, 2023Updated 3 years ago
- ☆26Dec 4, 2019Updated 6 years ago
- ☆50Jan 6, 2020Updated 6 years ago