☆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
Sorting:
- A bayesian retrosynthesis algorithm☆14Dec 16, 2020Updated 5 years ago
- Learning retrosynthetic pathway design using simulated experience☆20May 19, 2019Updated 6 years ago
- Code for Single-step Retrosynthesis model Retroprime☆40Apr 27, 2021Updated 4 years ago
- Applying deep neural networks for retrosynthesis tasks☆37Mar 2, 2020Updated 6 years ago
- Official code of Graph Truncated Attention for Retrosynthesis in AAAI2021☆14Apr 10, 2023Updated 2 years ago
- Retrosynthetic prediction with Atom Environments☆38May 30, 2023Updated 2 years ago
- Contains results and data from Augmented Transformer article☆39Jul 31, 2020Updated 5 years ago
- Template-free prediction of organic reaction outcomes☆161Oct 10, 2019Updated 6 years ago
- ☆86Mar 12, 2018Updated 7 years ago
- Retro*: Learning Retrosynthetic Planning with Neural Guided A* Search☆165Jul 9, 2022Updated 3 years ago
- ☆10May 17, 2021Updated 4 years ago
- ☆10Dec 17, 2020Updated 5 years ago
- Implementation of Retrosynthesis Prediction with Conditional Graph Logic Network☆134Dec 10, 2022Updated 3 years ago
- ☆66May 25, 2021Updated 4 years ago
- ☆14Dec 6, 2023Updated 2 years ago
- Input- hand-drawn image of molecule... Output- SMILES format molecule name☆16Apr 23, 2019Updated 6 years ago
- ☆12Jun 11, 2025Updated 8 months ago
- Generation of new putative Mdmx inhibitors from scratch based on Recurrent Neural Networks and molecular docking.☆10Jun 27, 2019Updated 6 years ago
- Inorganic Reaction Prediction☆11Jul 25, 2024Updated last year
- 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 6 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
- Code and analyses related to the ExaLearn drug design efforts☆11Sep 30, 2020Updated 5 years ago
- A feeble attempt at molecular recognition (in the literal sense)☆66Dec 13, 2024Updated last year
- Overview of published generative models that produce molecules☆15Jan 16, 2020Updated 6 years ago
- Learning Graph Models for Retrosynthesis Prediction (NeurIPS 2021)☆58Jun 29, 2023Updated 2 years ago
- Synthesis of molecules from fragments into larger molecules using graph-based representations and techniques.☆13Nov 25, 2015Updated 10 years ago
- ☆17Dec 12, 2017Updated 8 years ago
- ☆17Mar 23, 2021Updated 4 years ago
- ☆67Jan 29, 2020Updated 6 years ago
- ☆77May 21, 2024Updated last year
- Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism☆22Sep 22, 2023Updated 2 years ago
- Code for training machine learning model for reaction condition prediction☆47Apr 30, 2020Updated 5 years ago
- Reaction Decoder Tool (RDT) - Atom Atom Mapping Tool☆79Jan 11, 2022Updated 4 years ago
- ☆413Apr 18, 2022Updated 3 years ago
- Platforms to predict reactivity for substitution reactions.☆21May 8, 2021Updated 4 years ago
- Implementation of MolSearch paper☆23Sep 9, 2023Updated 2 years ago
- QBMG: Quasi-Biogenic Molecule Generator with Deep Recurrent Network☆19Jan 18, 2019Updated 7 years ago
- Deep Learning for Chemical Image Recognition (DECIMER)☆18May 3, 2021Updated 4 years ago
- 2D molecule visualization component☆22Nov 2, 2016Updated 9 years ago