☆22Sep 24, 2022Updated 4 years ago
Alternatives and similar repositories for ChemistGA
Users that are interested in ChemistGA are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆14Sep 22, 2026Updated last month
- A SMILES-based encoder-decoder architecture for molecular scaffold decoration☆83May 8, 2020Updated 6 years ago
- MCMG_V1☆78Nov 26, 2022Updated 3 years ago
- ☆43Apr 21, 2022Updated 4 years ago
- ☆29Mar 16, 2023Updated 3 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- ☆34Mar 11, 2023Updated 3 years ago
- ☆21Dec 5, 2024Updated last year
- EViS: an Enhanced Virtual Screening Approach based on Pocket Ligand Similarity☆14Dec 7, 2021Updated 4 years ago
- a multi-property optimization method.☆34Dec 10, 2024Updated last year
- ☆19Jul 3, 2024Updated 2 years ago
- Automatic Fragment Linking with Deep Conditional Transformer Neural Networks☆56Feb 27, 2022Updated 4 years ago
- Implementation of MolSearch paper☆24Sep 9, 2023Updated 3 years ago
- ☆71Nov 7, 2023Updated 3 years ago
- ☆12Jul 5, 2024Updated 2 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.
- The central entry point to the P2Rank project with links to the individual projects, including references to documentation, datasets, etc…☆14Feb 11, 2026Updated 8 months ago
- Extended version of the Chemprop framework that allows the calculation of atomistic and molecular Jazzy/Kallisto features.☆16Jan 10, 2025Updated last year
- graph generative model for molecule☆42Dec 17, 2019Updated 6 years ago
- ☆70Oct 11, 2022Updated 4 years ago
- ☆23Mar 11, 2023Updated 3 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
- ☆11Oct 3, 2026Updated last month
- ☆180Apr 22, 2022Updated 4 years ago
- ☆20Nov 12, 2024Updated last year
- 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.
- Molecule Optimization via Fragment-based Generative Models☆44Apr 4, 2023Updated 3 years ago
- ☆26Dec 4, 2019Updated 6 years ago
- A novel method that quantitatively evaluates the impact of PLM in PLI predictions.☆12Sep 14, 2023Updated 3 years ago
- ☆22Jan 5, 2025Updated last year
- Molecular optimization by capturing chemist’s intuition using the Seq2Seq with attention and the Transformer☆152Mar 16, 2023Updated 3 years ago
- Uni-Dock-Benchmarks contains a curated collection of datasets and benchmarking tests for evaluating the performance and accuracy of the U…☆18Feb 11, 2026Updated 8 months ago
- BayeshERG Official Repository☆16May 30, 2025Updated last year
- Novel molecules from a reference shape!☆84Jan 30, 2024Updated 2 years ago
- Baselines models for GuacaMol benchmarks☆145Feb 16, 2024Updated 2 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Molecular De Novo design using Recurrent Neural Networks and Reinforcement Learning☆336Jul 20, 2021Updated 5 years ago
- ☆17Nov 14, 2022Updated 3 years ago
- Collection of scripts that integrates docking, virtual screening, similarity and molecular modeling programs.☆33Updated this week
- ☆23Oct 2, 2024Updated 2 years ago
- Distribution package for BaNDyT: Bayesian Network Analysis of Dynamic Trajectories☆11Mar 30, 2026Updated 7 months ago
- ☆15Jul 5, 2022Updated 4 years ago
- ☆28Oct 31, 2022Updated 4 years ago