Pixelatory's repositories
Metaheuristic-List
A list of metaheuristics and links to their respective papers.
cddd
Implementation of the Paper "Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical Representations" by Robin Winter, Floriane Montanari, Frank Noe and Djork-Arne Clevert.
chemnlp
ChemNLP project
dockstring
A Python package for molecular docking with an extensive, highly-curated dataset and a set of realistic benchmark tasks for drug discovery.
KeyboardDisplay
Displays keyboard pressed and unpressed keys
FarkleMonteCarlo
Monte Carlo score simulation of Farkle, the dice game.
MoleculeACE
A tool for evaluating the predictive performance on activity cliff compounds of machine learning models
pixelatory.github.io
:art: A ridiculously elegant Jekyll theme.
PyVina
A Python Module implemented for the Vina suite of molecular docking software.
tuning_playbook
A playbook for systematically maximizing the performance of deep learning models.