Notebook

There are many people, especially beginners, struggle with configuring SSH key logins on Linux. To make things easier, I wrote a simple one-click scri...

During server migration workflows, I encountered significant latency issues when executing routine commands on newly configured Linux instances. This ...

Sometimes I need to submit VASP calculation tasks on different HPCs, and the environments of different nodes may vary. Some servers do not have batch ...

! Deprecated since version 3.0.0, Only used for versions below 3.0.0. First, we need to find the released version on the DeePMD-kit GitHub page: https...

When running hundreds of computational tasks (for example, accumulating data for high-throughput screening), it's common to face resource conflicts in...

When we usually draw various diagrams, we often need to use tools like PPT or Xmind. In the past, the complexity of code writing led to a lack of awar...

To record the installation of Python packages for high-throughput screening on a certain HPC platform and the modular process. 1. Preparation work # C...

fairchem is the FAIR Chemistry's centralized repository of all its data, models, demos, and application efforts for materials science and quantum chem...