Multiobjective De Novo Drug Design with Recurrent Neural Networks and Nondominated Sorting
☆18Jan 20, 2020Updated 6 years ago
Alternatives and similar repositories for MoleculeMO
Users that are interested in MoleculeMO are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆10Sep 25, 2019Updated 6 years ago
- ☆42Nov 10, 2020Updated 5 years ago
- docking visualization with py3dmol and streamlit☆25Mar 15, 2021Updated 5 years ago
- Pytorch implementation of BionoiNet, which is a deep learning-based software to classify ligand-binding sites.☆20Jun 22, 2021Updated 4 years ago
- Code for "Multi-Objective De Novo Drug Design with Conditional Graph Generative Model" (https://arxiv.org/abs/1801.07299)☆138Dec 7, 2018Updated 7 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.
- A novel hybrid method for generating molecules with desired property scores.☆42Oct 26, 2021Updated 4 years ago
- Mol-CycleGAN - a generative model for molecular optimization☆76Feb 6, 2019Updated 7 years ago
- Overview of published generative models that produce molecules☆16Jan 16, 2020Updated 6 years ago
- My (small) research project in solubility of drug-like molecules☆17Jan 4, 2021Updated 5 years ago
- ☆26Dec 4, 2019Updated 6 years ago
- ☆21Mar 14, 2023Updated 3 years ago
- Multi-Channel Deep Chemogenomic Modeling of Receptor-Ligand Binding Affinity Prediction for Drug Discovery☆28May 16, 2021Updated 5 years ago
- ☆29Updated this week
- Software tools for fragment-based drug discovery (FBDD)☆27Apr 6, 2020Updated 6 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- ☆12Oct 9, 2024Updated last year
- ☆14Oct 16, 2022Updated 3 years ago
- ☆17Aug 22, 2023Updated 2 years ago
- ☆11Apr 22, 2024Updated 2 years ago
- A SMILES-based encoder-decoder architecture for molecular scaffold decoration☆83May 8, 2020Updated 6 years ago
- GenUI frontend application. It provides a GUI to the GenUI REST API web services.☆23Sep 4, 2023Updated 2 years ago
- Optimized Generative Adversarial Network with Graph Convolutional Networks for Novel Molecule Design☆13Jan 2, 2024Updated 2 years ago
- Novel molecules from a reference shape!☆82Jan 30, 2024Updated 2 years ago
- Code for training and inference for multitask graph convolutional networks☆25Sep 3, 2020Updated 5 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- QBMG: Quasi-Biogenic Molecule Generator with Deep Recurrent Network☆19Jan 18, 2019Updated 7 years ago
- A lightweight visualization tool for molecules and their properties☆15Sep 19, 2017Updated 8 years ago
- Data repository for pkasolver☆13Mar 28, 2022Updated 4 years ago
- Tensorflow implementation of Generating Focussed Molecule Libraries for Drug Discovery with Recurrent Neural Networks☆29Feb 4, 2019Updated 7 years ago
- Learning protein representation for rigid-body docking☆22Nov 2, 2019Updated 6 years ago
- deep protein solubility prediction☆42May 12, 2019Updated 7 years ago
- ☆17Mar 11, 2023Updated 3 years ago
- AstraZeneca add-ons to Orange.☆23Jun 15, 2020Updated 6 years ago
- xGAP is an efficient, modular, extensible and fault-tolerant pipeline for massively parallelized genomic analysis/variant discovery from …☆11Oct 21, 2020Updated 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.
- Analyse metabolic stability predictions using SHapley Additive exPlanations.☆11Jul 26, 2023Updated 2 years ago
- Snippets for common computer-aided drug design tasks☆10Oct 17, 2017Updated 8 years ago
- Project for integration of OPS and the Knime workflow engine☆14Aug 12, 2015Updated 10 years ago
- Paper for release☆11Sep 24, 2021Updated 4 years ago
- A Prior of a Googol Gaussians: a Tensor Ring Induced Prior for Generative Models☆29Jun 17, 2024Updated 2 years ago
- ☆17Dec 13, 2020Updated 5 years ago
- ☆12Dec 10, 2020Updated 5 years ago