☆68Mar 11, 2023Updated 3 years ago
Alternatives and similar repositories for Lib-INVENT
Users that are interested in Lib-INVENT are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆23Mar 11, 2023Updated 3 years ago
- ☆26Dec 4, 2019Updated 6 years ago
- ☆377May 24, 2025Updated last year
- ☆180Apr 22, 2022Updated 4 years ago
- Tree-Invent: A novel molecular generative model constrained with topological tree☆14Jul 26, 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.
- Enhanced Thompson Sampling☆12Apr 14, 2025Updated last year
- ☆43Apr 21, 2022Updated 4 years ago
- Official Github for "Molecular generative model via retrosynthetically prepared chemical building block assembly" (Advanced Science)☆36Mar 19, 2025Updated last year
- ☆13Oct 9, 2024Updated last year
- ☆17Jan 10, 2024Updated 2 years ago
- ☆58Mar 14, 2024Updated 2 years ago
- Extended version of the Chemprop framework that allows the calculation of atomistic and molecular Jazzy/Kallisto features.☆16Jan 10, 2025Updated last year
- ☆99Dec 19, 2022Updated 3 years ago
- Synthesis-oriented GFlowNets on a large action space: "Generative Flows on Synthetic Pathway for Drug Design" (ICLR 2025)☆38Apr 6, 2026Updated 4 months 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.
- Systemic Evolutionary Chemical Space Exploration for Drug Discovery☆92Sep 2, 2025Updated 11 months ago
- graph generative model for molecule☆42Dec 17, 2019Updated 6 years ago
- A tensorflow.keras generative neural network for de novo drug design, first-authored in Nature Machine Intelligence while working at Astr…☆191Dec 5, 2025Updated 8 months ago
- ☆41Jun 24, 2024Updated 2 years ago
- ☆13Jul 11, 2023Updated 3 years ago
- Data repository for pkasolver☆13Mar 28, 2022Updated 4 years ago
- Generate images of molecules and their properties for use in presentations and reports☆44Jul 21, 2022Updated 4 years ago
- Scoring of shape and ESP similarity with RDKit☆236Aug 19, 2025Updated 11 months ago
- Implementation of MolSearch paper☆24Sep 9, 2023Updated 2 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.
- Molecular optimization by capturing chemist’s intuition using the Seq2Seq with attention and the Transformer☆153Mar 16, 2023Updated 3 years ago
- De Novo Drug Design with RNNs and Transformers☆184Feb 19, 2026Updated 5 months ago
- ☆19Jan 26, 2024Updated 2 years ago
- source code for deppHop☆36Aug 19, 2022Updated 3 years ago
- CReM: chemically reasonable mutations framework☆280Jul 9, 2026Updated last month
- RJT-RL: De novo molecular design using a Reversible Junction Tree and Reinforcement Learning☆24Aug 22, 2022Updated 3 years ago
- Code to analyze SAR datasets for Nonadditivity☆19Aug 8, 2021Updated 5 years ago
- Automatic Fragment Linking with Deep Conditional Transformer Neural Networks☆55Feb 27, 2022Updated 4 years ago
- JAEGER is a deep generative approach for small-molecule design☆30Dec 21, 2021Updated 4 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- A package to identify matched molecular pairs and use them to predict property changes.☆294Jun 3, 2026Updated 2 months ago
- ☆38Jan 8, 2021Updated 5 years ago
- ☆29Mar 16, 2023Updated 3 years ago
- Deep Learning-based Bioisosteric Replacements for Optimization of Multiple Molecular Properties☆35Jul 29, 2026Updated 2 weeks ago
- Analyse metabolic stability predictions using SHapley Additive exPlanations.☆11Jul 26, 2023Updated 3 years ago
- ☆42Mar 26, 2025Updated last year
- Python-based GUI to collect Feedback of Chemist in Molecules☆54Oct 15, 2024Updated last year