MAINMAST algorithm (http://kiharalab.org/mainmast/) was used in DeepMM under GNU General Public License version 3. Python (https://www.python.org) (ver. 3.7) SPIDER2 ...

PLAID is a multimodal generative model that can generate protein sequence and all-atom structure based on conditional function and taxonomic prompts. Please see our ...

We report an educational tool for the upper level undergraduate quantum chemistry or quantum physics course that uses a symbolic approach via the PySyComp Python library. The tool covers both ...

Establishing a fundamental understanding of the nature of materials via computational simulation approaches requires knowledge from different areas, including physics, materials science, chemistry, ...

Bacteriorhodopsin (bR) is a molecular ion pump that has been long regarded as a prototypical system that demonstrates the Grotthuss mechanism for long-range proton transport in biology. Using ...

Developing new drugs is complex and time-consuming, with many candidates failing to reach the market. Generative Adversarial Networks (GANs) are now being applied in drug discovery to identify ...