Abstract: Accurate prediction of the drug binding between proteins and ligands can significantly advance the development of structure-based drug design. Recent advances have shown great potential in ...

The aim of this project is to provide a Python 3.12 backport to Debian bookworm. Packages are of course much better manageable than compiling the source from scratch. In my opinion it is also more ...

Microsoft has released open-source Quantum Development Kit tools for chemistry and error correction, with VS Code integration ...

Microsoft released new open‑source quantum development tools that deepen VS Code and Copilot integration while targeting real ...

Abstract: GW approximation is a powerful approach to accurately describe the excited-state of semiconductors. However, GW incurs high computational cost $\mathcal{O}\left(N^{4}\right)$ and large ...