Code for "Scalable and Cost-Efficient de Novo Template-Based Molecular Generation" (NeurIPS 2025)
☆12Apr 29, 2026Updated 6 months ago
Alternatives and similar repositories for SCENT
Users that are interested in SCENT are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Code for "RGFN: Synthesizable Molecular Generation Using GFlowNets" (NeurIPS 2024)☆32Jun 9, 2025Updated last year
- Transformer for End to End Molecule Property Prediction☆11Jun 1, 2022Updated 4 years ago
- Pytorch Implementation for "Merging and Disentangling Views in Visual Reinforcement Learning for Robotic Manipulation" - [CoRL 2025]☆14Nov 21, 2025Updated 11 months ago
- ☆14Aug 2, 2026Updated 2 months ago
- Block-GTQ: RoPE-aware bit allocation for KV-cache quantization☆15Jun 24, 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.
- RetroBridge: Markov Bridge Model for Retrosynthesis Planning☆36Mar 26, 2024Updated 2 years ago
- ☆21Mar 5, 2026Updated 7 months ago
- ☆21Dec 5, 2024Updated last year
- The official code for PDVN: Retrosynthetic Planning with Dual Value Networks (ICML 2023)☆34Apr 21, 2024Updated 2 years ago
- Code for the paper: Graph Neural Networks for Predicting Chemical Reaction Performance☆11Mar 4, 2025Updated last year
- QGFN: Controllable Greediness with Action Values - Code☆11May 17, 2024Updated 2 years ago
- ☆12May 24, 2026Updated 5 months ago
- HyperPCM: Robust task-conditioned modeling of drug-target interactions☆38Oct 1, 2024Updated 2 years ago
- ☆18Aug 15, 2025Updated last year
- 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.
- ☆55Aug 7, 2026Updated 2 months ago
- Phenomics guided molecule generation with GFlowNets☆12Aug 21, 2024Updated 2 years ago
- Molecular Reinforcement Learning with Adaptive Intrinsic Reward for Goal-directed Molecular Generation.☆30Dec 2, 2025Updated 10 months ago
- An implementation of Roger Sayle's smizip algorithm for short string compression, like SMILES strings☆14Feb 1, 2025Updated last year
- Quantifying Pairwise Chemical Similarity for Polymers☆16Jan 23, 2024Updated 2 years ago
- ☆20Feb 5, 2024Updated 2 years ago
- ☆38May 15, 2026Updated 5 months ago
- Adds rich IDE support for Hydra config files☆10Feb 10, 2025Updated last year
- Generative AI for designing easily synthesizable small molecule drugs☆237Apr 27, 2026Updated 6 months ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- The code implements a novel method for converting random forest into a single decision tree☆10Jan 24, 2020Updated 6 years ago
- A symbolic regression tool designed to work with noisy data☆14Updated this week
- Implementation for Discrete Feynman-Kac Correctors☆14Jul 6, 2026Updated 3 months ago
- ☆20Jun 21, 2022Updated 4 years ago
- Sample-efficient Generative Molecular Design using Memory Manipulation☆92Updated this week
- ☆18Feb 13, 2023Updated 3 years ago
- ☆11Apr 8, 2025Updated last year
- ☆16Apr 5, 2022Updated 4 years ago
- Recombining and concurrent Monte Carlo tree search☆12Jan 14, 2021Updated 5 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.
- GNEprop is a graph neural network-based model to predict antibacterial activity from molecular structures in virtual screening settings.☆50Apr 8, 2026Updated 6 months ago
- Tensorflow implementation of deep residual learning☆15May 29, 2017Updated 9 years ago
- TUI (Text User Interface) - Get Instant feedback for your sh commands. Explore and play with your queries 🚀☆12Aug 30, 2025Updated last year
- MolModa provides a secure, accessible environment where users can perform molecular docking entirely in their web browsers.☆23Aug 6, 2026Updated 2 months ago
- An R package for interpretable machine learning. R.ROSETTA uses ROSETTA toolkit that supports data mining and knowledge discovery based o…☆21Oct 15, 2026Updated 2 weeks ago
- 🔬 Copilot for Researcher is an Azure-powered assistant that streamlines life sciences research by aggregating data from key sources like…☆20Feb 5, 2025Updated last year
- A personal project where I publish my research paper notes on a weekly basis.☆13Jul 28, 2021Updated 5 years ago