QuTiP: Quantum Toolbox in Python
- qutip
- python
- quantum-toolbox
- quantum
Repository Index
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A basic user tool to execute simple docker containers in batch or interactive systems without root privileges.
- docker
- containers
- batch
- user
Math & CS awesome List, distinguished by proof and logic technique
A dependency-free cross-platform swiss army knife for PDB files.
- python
- protein
- pdb
- bioinformatics
ChemML is a machine learning and informatics program suite for the chemical and materials sciences.
- quantum-mechanics
- materials-informatics
- data-science
- machine-learning
TransformerCPI: Improving compound–protein interaction prediction by sequence-based deep learning with self-attention mechanism and label reversal experiments(BIOINFORMATICS 2020) https://doi.org/10.1093/bioinformatics/btaa524
- self-attention
- compound-protein-interaction
- transformercpi
- structure-free-virtual-sreening