Code repo for optimizing distributions of molecules.
☆130Apr 9, 2019Updated 7 years ago
Alternatives and similar repositories for ORGANIC
Users that are interested in ORGANIC are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Objective-Reinforced Generative Adversarial Networks (ORGAN) for Sequence Generation Models☆243Mar 24, 2023Updated 3 years ago
- A project to enable optimization of molecules by transforming them to and from a continuous representation.☆156Mar 17, 2017Updated 9 years ago
- Code for 10.1021/acscentsci.7b00572, now running on Keras 2.0 and Tensorflow☆557Mar 24, 2023Updated 3 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
- ☆31Jun 29, 2018Updated 7 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.
- Molecular De Novo design using Recurrent Neural Networks and Reinforcement Learning☆335Jul 20, 2021Updated 4 years ago
- Deep Reinforcement Learning for de-novo Drug Design☆369Dec 8, 2021Updated 4 years ago
- Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models☆978Jul 8, 2024Updated last year
- ☆65Oct 24, 2018Updated 7 years ago
- Graph-based genetic algorithm☆95Jun 15, 2021Updated 5 years ago
- Code for our paper "A Model to Search for Synthesizable Molecules" (https://arxiv.org/abs/1906.05221)☆81Jul 17, 2023Updated 2 years ago
- ChEMBL Similarity Search☆19Nov 28, 2020Updated 5 years ago
- A library to interface molecules and machine learning.☆62Jul 31, 2019Updated 6 years ago
- Code for the "Grammar Variational Autoencoder" https://arxiv.org/abs/1703.01925☆280Apr 16, 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.
- a tool for protein-ligand binding affinity prediction☆37Mar 12, 2023Updated 3 years ago
- Novel molecules from a reference shape!☆82Jan 30, 2024Updated 2 years ago
- Code associated with "A Deep-Learning View of Chemical Space Designed to Facilitate Drug Discovery"☆24Feb 1, 2022Updated 4 years ago
- A Benchmarking Platform for Realistic And Practical Inverse Molecular Design☆83May 11, 2025Updated last year
- Structure-informed machine learning for kinase modeling☆61Updated this week
- Mol-CycleGAN - a generative model for molecular optimization☆76Feb 6, 2019Updated 7 years ago
- Convolutional nets which can take molecular graphs of arbitrary size as input.☆501Jan 23, 2018Updated 8 years ago
- DeltaVina scoring function☆42Apr 7, 2017Updated 9 years ago
- ☆44Apr 21, 2022Updated 4 years ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- ☆14Jul 5, 2022Updated 3 years ago
- ☆11Oct 1, 2021Updated 4 years ago
- R codes for generating candidates of novel polymers with high thermal conductivity using iqspr (R package)☆15Jan 22, 2019Updated 7 years ago
- Generative Tensorial Reinforcement Learning (GENTRL) model☆641Jul 25, 2024Updated last year
- QBMG: Quasi-Biogenic Molecule Generator with Deep Recurrent Network☆19Jan 18, 2019Updated 7 years ago
- Open Drug Discovery Toolkit☆465Dec 13, 2022Updated 3 years ago
- DeepSMILES - A variant of SMILES for use in machine-learning☆146May 24, 2021Updated 5 years ago
- Deep learning toolkit for Drug Design with Pareto-based Multi-Objective optimization in Polypharmacology☆222Jul 6, 2023Updated 2 years ago
- ANI-1 neural net potential with python interface (ASE)☆229Mar 11, 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.
- Benchmarks for generative chemistry☆522Feb 11, 2024Updated 2 years ago
- Interactive plotting of data annotated with molecule structures.☆12Nov 30, 2023Updated 2 years ago
- Molecular Property Prediction using GP with a SOAP kernel☆21Nov 16, 2020Updated 5 years ago
- Tensorflow implementation of MolGAN: An implicit generative model for small molecular graphs☆294Oct 25, 2023Updated 2 years ago
- Autoencoder network for learning a continuous representation of molecular structures.☆531Aug 2, 2024Updated last year
- github for "Molecular generative model based on conditional variational autoencoder for de novo molecular design"☆108Mar 20, 2022Updated 4 years ago
- Automatic prototype based drug generation☆13Feb 13, 2018Updated 8 years ago