☆21Aug 18, 2020Updated 6 years ago
Alternatives and similar repositories for ChemPatentEmbeddings
Users that are interested in ChemPatentEmbeddings are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Prediction of compound synthesis accessibility bashed on reaction knowledge graph☆17May 24, 2022Updated 4 years ago
- ☆18Mar 25, 2020Updated 6 years ago
- Text mining of chemical reactions☆114Nov 10, 2024Updated last year
- Official Implementation of "C5T5: Controllable Generation of Organic Molecules with Transformers"☆23Dec 17, 2021Updated 4 years ago
- Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.☆49Mar 2, 2021Updated 5 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.
- ☆11Jul 31, 2020Updated 6 years ago
- ☆13May 21, 2023Updated 3 years ago
- Platforms to predict reactivity for substitution reactions.☆23May 8, 2021Updated 5 years ago
- A database of In-Silico predicted MS/MS spectrum of Natural Products☆15Sep 24, 2022Updated 4 years ago
- Toolkit for Chemical Reaction Extraction from Scientific Literature (JCIM 2021)☆88Mar 26, 2022Updated 4 years ago
- Parse a SDF file and convert it to an array of objects☆11May 25, 2026Updated 5 months ago
- Notebook for standardization of actvity data, nonadditivity analysis and its evaluation.☆12Mar 16, 2023Updated 3 years ago
- A high-quality hand-curated logD7.4 dataset of 1,130 compounds☆23Nov 23, 2017Updated 8 years ago
- Convergence of multiple synthetic paradigms in a universally programable chemical synthesis machine☆12Feb 9, 2021Updated 5 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.
- Submitted systems of SDPRA 2021 shared task☆10Feb 22, 2021Updated 5 years ago
- From a chemical reaction image, detect and classify molecules, text and arrows by using the Vision Transformer DETR. Comparisons with we…☆64Mar 7, 2023Updated 3 years ago
- Chemical reaction data cleaning☆32Apr 19, 2022Updated 4 years ago
- ☆12Jan 15, 2016Updated 10 years ago
- organic chemistry reaction prediction using NMT☆34Feb 8, 2017Updated 9 years ago
- Chemistry-related Python utilities used in the RXN universe☆25Jul 18, 2024Updated 2 years ago
- pains filter using rdktit☆11Mar 17, 2015Updated 11 years ago
- ☆15Oct 4, 2021Updated 5 years ago
- ☆12Jan 8, 2024Updated 2 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.
- 3D molecular fingerprints (E3FP) paper repo☆15Mar 14, 2021Updated 5 years ago
- ☆11Oct 3, 2026Updated last month
- A bayesian retrosynthesis algorithm☆15Jun 1, 2026Updated 5 months ago
- Data repository for pkasolver☆13Mar 28, 2022Updated 4 years ago
- Protein preparation for MD, made faster and easier !☆15Dec 18, 2023Updated 2 years ago
- Code for 'On Contrastive Representations of Stochastic Processes' https://arxiv.org/abs/2106.10052☆11Oct 28, 2021Updated 5 years ago
- Generative models for transcriptomic-driven or protein-driven molecular design (PaccMann^RL).☆11May 22, 2024Updated 2 years ago
- Extraction of action sequences from experimental procedures☆42Oct 13, 2023Updated 3 years ago
- Generation of new putative Mdmx inhibitors from scratch based on Recurrent Neural Networks and molecular docking.☆11Jun 27, 2019Updated 7 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Hierarchical template correction for chemical reactions☆23Aug 9, 2024Updated 2 years ago
- ☆21Mar 14, 2023Updated 3 years ago
- Genetic algorithm to convert 3D-RISM solvent densities to explicit water molecules in binding pockets☆13Dec 19, 2017Updated 8 years ago
- Applying deep neural networks for retrosynthesis tasks☆38Mar 2, 2020Updated 6 years ago
- Generative models of chemical data for PaccMann^RL☆13Jun 2, 2023Updated 3 years ago
- A feature engineering library for Rust 🦀 with Python bindings 🐍 (WIP)☆23Dec 10, 2025Updated 10 months ago
- Repo hosting the MetFrag website☆12Apr 6, 2026Updated 7 months ago