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Data and model repository for the ASKCOS application

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Repository files (latest commit first)
Filename	Latest commit message	Latest commit date
Max Liu c5af7265a5 Merge pull request #1 from ASKCOS/release-2021-01 askcos-data 2021.01 open-source release		2022-02-24 17:32:59 -05:00
buyables	Update buyables with sources	2022-02-22 17:50:18 -05:00
historian	Add pistachio template relevance model and data	2022-02-22 17:52:57 -05:00
models	Add model files for new condition recommender	2022-02-22 17:59:52 -05:00
scalers	Add models for qm descriptors and regioselectivity	2022-02-22 17:58:29 -05:00
solvents	Add solvent EHS score data	2022-02-22 17:55:10 -05:00
templates	Add pistachio template relevance model and data	2022-02-22 17:52:57 -05:00
.dockerignore	Add Dockerfile and .dockerignore	2021-02-16 18:43:55 -05:00
.gitattributes	Add retrosynthetic pathway ranker model	2022-02-22 17:51:28 -05:00
Dockerfile	Add Dockerfile and .dockerignore	2021-02-16 18:43:55 -05:00
LICENSE	Initial commit	2021-02-16 17:37:19 -05:00
README.md	Update README.md for public release	2021-08-04 11:57:08 -04:00

README.md

askcos-data

Data and model repository for the askcos-core software package for the prediction of feasible synthetic routes towards a desired compound and associated tasks related to synthesis planning. Originally developed under the DARPA Make-It program and now being developed under the MLPDS Consortium.

Getting Started

This repository only contains machine learning models and other data files without any code. To use, download the askcos-core repository and place this repository in askcos-core/askcos/data.

License

The data and models are licensed under a Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International License