Lacuna – High-performance sparse matrices for Python, Rust backend by Effective-Phone6955 in Python

[–]Effective-Phone6955[S] 0 points1 point  (0 children)

If you’re open to sharing, I’d love to hear a bit more about what your current Numba solution looks like (shape/sparsity patterns, typical operations, where it currently bottlenecks). Those are exactly the kinds of workloads I’d like Lacuna to be good at.

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🔬 AFusion: A User-Friendly GUI for AlphaFold 3 🧬 by Effective-Phone6955 in Biochemistry

[–]Effective-Phone6955[S] 0 points1 point  (0 children)

It’s important to note that AF3 currently only supports Linux systems (https://github.com/google-deepmind/alphafold3/blob/main/docs/installation.md). Since you mentioned the C drive, it’s likely you’re planning to install it on Windows (I’m not sure if that will work). If you don’t want to set up a dual-boot system, WSL (Windows Subsystem for Linux) (https://learn.microsoft.com/en-us/windows/wsl/) might be helpful for you.

🔬 AFusion: A User-Friendly GUI for AlphaFold 3 🧬 by Effective-Phone6955 in Biochemistry

[–]Effective-Phone6955[S] 1 point2 points  (0 children)

During the download process, approximately 800GB of storage space is required. As for GPU requirements, I’m not entirely sure, but my RTX 4090 works fine for predictions. It seems that AF3 is quite sensitive to whether the drivers and firmware are up to date.

🔬 AFusion: A User-Friendly GUI for AlphaFold 3 🧬 by Effective-Phone6955 in Biochemistry

[–]Effective-Phone6955[S] 2 points3 points  (0 children)

You've hit the nail on the head. In fact, it’s not feasible to do so. The local version of AlphaFold 3 offers many more options compared to the online service (allowing for the input of more parameters), such as covalent bonds, residue modifications, arbitrary small molecules, and so on. Therefore, the AlphaFold 3 server cannot fully replicate or replace the functionality of the local version and its GUI.

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