Chemios Framework 👨🏾🔬: Accelerating Science through Automation
Updated Aug 2, 2018
Easy-to-use python module for training multi-layer perceptrons (neural networks) from molecular SMILES and known asso…
Updated Apr 3, 2019
High-level module for ultra-fast structural optimisation and property calculations of organic co-polymers.
Updated May 10, 2019
This repository contains the files created and used for the Opportunities for Undergraduate Research Program, 2018.
Updated Mar 12, 2019
Compound dilutions entirely within an Echo acoustic liquid handler.
Updated Jun 25, 2018
This paper develops new methods to handle false positives in High-Throughput Screening experiments.
Updated Sep 14, 2018
We present a detailed study of the asymptotic behavior of the distribution of the tails of these, perhaps, most commo…
Updated Feb 3, 2018
Python package for removal of duplicates in (solid state) structural databases
Updated Jun 10, 2019