☆16Jan 1, 2020Updated 6 years ago
Alternatives and similar repositories for MolecularGET
Users that are interested in MolecularGET are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A bayesian retrosynthesis algorithm☆15Jun 1, 2026Updated 3 months ago
- Applying deep neural networks for retrosynthesis tasks☆37Mar 2, 2020Updated 6 years ago
- Code for Single-step Retrosynthesis model Retroprime☆41Apr 27, 2021Updated 5 years ago
- Learning retrosynthetic pathway design using simulated experience☆19May 19, 2019Updated 7 years ago
- Official code of Graph Truncated Attention for Retrosynthesis in AAAI2021☆14Apr 10, 2023Updated 3 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- ☆13Jun 11, 2025Updated last year
- Retro*: Learning Retrosynthetic Planning with Neural Guided A* Search☆175Jul 9, 2022Updated 4 years ago
- ☆67May 25, 2021Updated 5 years ago
- Template-free prediction of organic reaction outcomes☆161Oct 10, 2019Updated 6 years ago
- ☆89Mar 12, 2018Updated 8 years ago
- Retrosynthetic prediction with Atom Environments☆37May 30, 2023Updated 3 years ago
- Contains results and data from Augmented Transformer article☆39Jul 31, 2020Updated 6 years ago
- Implementation of Retrosynthesis Prediction with Conditional Graph Logic Network☆143Dec 10, 2022Updated 3 years ago
- ☆14Dec 6, 2023Updated 2 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.
- Learning Graph Models for Retrosynthesis Prediction (NeurIPS 2021)☆62Jun 29, 2023Updated 3 years ago
- ☆10Dec 17, 2020Updated 5 years ago
- Inorganic Reaction Prediction☆11Jul 25, 2024Updated 2 years ago
- ☆10May 17, 2021Updated 5 years ago
- Double-Ended Synthesis Planning with Goal-Constrained Bidirectional Search (NeurIPS 2024)☆31Jan 23, 2025Updated last year
- A feeble attempt at molecular recognition (in the literal sense)☆68Jul 9, 2026Updated 2 months ago
- ☆80May 21, 2024Updated 2 years ago
- ☆429Apr 18, 2022Updated 4 years ago
- Input- hand-drawn image of molecule... Output- SMILES format molecule name☆16Apr 23, 2019Updated 7 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.
- ☆68Jan 29, 2020Updated 6 years ago
- Generation of new putative Mdmx inhibitors from scratch based on Recurrent Neural Networks and molecular docking.☆10Jun 27, 2019Updated 7 years ago
- Code and analyses related to the ExaLearn drug design efforts☆11Sep 30, 2020Updated 5 years ago
- Introducing AlloyBERT: a transformer encoder-based model for predicting alloy properties from textual inputs. Leveraging RoBERTa and self…☆13Aug 5, 2024Updated 2 years ago
- Synthesis of molecules from fragments into larger molecules using graph-based representations and techniques.☆13Nov 25, 2015Updated 10 years ago
- QBMG: Quasi-Biogenic Molecule Generator with Deep Recurrent Network☆19Jan 18, 2019Updated 7 years ago
- Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism☆22Sep 22, 2023Updated 2 years ago
- Auto in silico Consensus Inverse Docking(ACID) is a web server mainly for drug repurposing based on the consensus inverse docking method…☆13Aug 22, 2019Updated 7 years ago
- The Supplementary data in the paper "A Survey and Systematic Assessment of Computational Methods for Drug Response Prediction"☆12Sep 27, 2019Updated 6 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Retrosynthesis by template prediction (a la Segler and Waller)☆30Aug 28, 2018Updated 8 years ago
- An unofficial jax/haiku implementation of Crystal Graph Convolutional Neural Networks (CGCNN)☆10Dec 17, 2022Updated 3 years ago
- Deep Learning for Chemical Image Recognition (DECIMER)☆19May 3, 2021Updated 5 years ago
- Overview of published generative models that produce molecules☆16Jan 16, 2020Updated 6 years ago
- 2D molecule visualization component☆22Nov 2, 2016Updated 9 years ago
- Code for training machine learning model for reaction condition prediction☆48Apr 30, 2020Updated 6 years ago
- Systematic Multi-Trait AAV Capsid Engineering for Efficient Gene Delivery (Eid et al., Nature Communications, 2024)☆16Aug 26, 2024Updated 2 years ago