Pinned Repositories
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
ColourGame
HybridFragmentTokenization
Ice-Hockey-RL
Metaheuristic-Implementations
Metaheuristic-List
A list of metaheuristics and links to their respective papers.
MolAE
Implementation of various cheminformatic autoencoders.
PSO-GPU
A particle swarm optimizer using the GPU (PyTorch).
PyVina
A Python Module implemented for the Vina suite of molecular docking software.
Pixelatory's Repositories
Pixelatory/PSO-GPU
A particle swarm optimizer using the GPU (PyTorch).
Pixelatory/Metaheuristic-Implementations
Pixelatory/HybridFragmentTokenization
Pixelatory/PyVina
A Python Module implemented for the Vina suite of molecular docking software.
Pixelatory/Ice-Hockey-RL
Pixelatory/Metaheuristic-List
A list of metaheuristics and links to their respective papers.
Pixelatory/MolAE
Implementation of various cheminformatic autoencoders.
Pixelatory/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.
Pixelatory/chemnlp
ChemNLP project
Pixelatory/ColourGame
Pixelatory/COSC-5P71
Pixelatory/cosc4f90
Pixelatory/dockstring
A Python package for molecular docking with an extensive, highly-curated dataset and a set of realistic benchmark tasks for drug discovery.
Pixelatory/KeyboardDisplay
Displays keyboard pressed and unpressed keys
Pixelatory/FarkleMonteCarlo
Monte Carlo score simulation of Farkle, the dice game.
Pixelatory/ManyObjectiveDrugDesign
Pixelatory/MoleculeACE
A tool for evaluating the predictive performance on activity cliff compounds of machine learning models
Pixelatory/pixelatory.github.io
:art: A ridiculously elegant Jekyll theme.
Pixelatory/RestaurantAR
Pixelatory/Spatial-Square
Pixelatory/tuning_playbook
A playbook for systematically maximizing the performance of deep learning models.
Pixelatory/Village
Pixelatory/Word-Bank
A word bank extension to store words and quiz yourself. Expand your vocabulary.