☆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
- Platforms to predict reactivity for substitution reactions.☆23May 8, 2021Updated 5 years ago
- Notebook for standardization of actvity data, nonadditivity analysis and its evaluation.☆12Mar 16, 2023Updated 3 years ago
- Parse a SDF file and convert it to an array of objects☆11May 25, 2026Updated 2 months 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.
- Official Implementation of "C5T5: Controllable Generation of Organic Molecules with Transformers"☆23Dec 17, 2021Updated 4 years ago
- Text mining of chemical reactions☆113Nov 10, 2024Updated last year
- Convergence of multiple synthetic paradigms in a universally programable chemical synthesis machine☆12Feb 9, 2021Updated 5 years ago
- Submitted systems of SDPRA 2021 shared task☆10Feb 22, 2021Updated 5 years ago
- Data repository for pkasolver☆13Mar 28, 2022Updated 4 years ago
- Chemistry-related Python utilities used in the RXN universe☆25Jul 18, 2024Updated 2 years ago
- 3D molecular fingerprints (E3FP) paper repo☆15Mar 14, 2021Updated 5 years ago
- ☆15Oct 4, 2021Updated 4 years ago
- A bayesian retrosynthesis algorithm☆15Jun 1, 2026Updated 2 months 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.
- Hierarchical template correction for chemical reactions☆23Aug 9, 2024Updated 2 years ago
- ☆12Jan 8, 2024Updated 2 years ago
- Toolkit for Chemical Reaction Extraction from Scientific Literature (JCIM 2021)☆86Mar 26, 2022Updated 4 years ago
- Genetic algorithm to convert 3D-RISM solvent densities to explicit water molecules in binding pockets☆13Dec 19, 2017Updated 8 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
- ☆11Oct 1, 2021Updated 4 years ago
- Protein preparation for MD, made faster and easier !☆15Dec 18, 2023Updated 2 years ago
- Repo hosting the MetFrag website☆11Apr 6, 2026Updated 4 months ago
- ☆71Nov 7, 2023Updated 2 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- This repository hosts the dataset for the paper Computer Science Named Entity Recognition in the Open Research Knowledge Graph☆21Jan 8, 2024Updated 2 years ago
- Command line tool to generate Kripo fingerprints from Protein Data Bank files.☆18Dec 26, 2022Updated 3 years ago
- Tutorial on the usage of Rdkit, Pandas, sklearn, machine learning, descriptor calculation, etc.. in the context of bioactivity predictive…☆14Sep 28, 2014Updated 11 years ago
- Generative models of chemical data for PaccMann^RL☆13Jun 2, 2023Updated 3 years ago
- RetroPath2.0 to pathways☆18Jan 28, 2026Updated 6 months ago
- chemalot: a command-line cheminformatics open-source package☆40Jun 4, 2023Updated 3 years ago
- Learning retrosynthetic pathway design using simulated experience☆19May 19, 2019Updated 7 years ago
- ☆14Jul 6, 2023Updated 3 years ago
- MaPhi is a program written in python for Linux, which compute descriptors for a set of molecules for chemoinformatics studies.☆14Jan 27, 2023Updated 3 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- ☆24Aug 24, 2023Updated 2 years ago
- ☆10Sep 14, 2022Updated 3 years ago
- Code to analyze SAR datasets for Nonadditivity☆20Aug 8, 2021Updated 5 years ago
- Optimized version of the Reaction Decoder Tool (RDTool)☆17Sep 17, 2020Updated 5 years ago
- Python API for Pharmer☆12Jun 14, 2019Updated 7 years ago
- Core code for the paper "A Generative Model For Electron Paths" (https://openreview.net/forum?id=r1x4BnCqKX).☆18Jun 13, 2019Updated 7 years ago
- A high-quality hand-curated logD7.4 dataset of 1,130 compounds☆23Nov 23, 2017Updated 8 years ago