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jwohlwend
Official repository for the Boltz biomolecular interaction models
Hi, This PR adds support to optionally output ligand-only SDF files when running `boltz predict`, which is enabled by the flag `--ligand_sdf`. Separate SDF files will be generated if there...
Hi Boltz community, I have successfully installed and extracted a prediction as a test case, but I was wondering if there were internal embeddings in the model that could be...
Hi, I made some minor code updates to make it run on the GPU of Macs. It works sufficiently well on my MacBookPro with M1 Max (64 Go).
Is there an optimization that could be done to speed up folding a series of ligands against the same protein sequence? Can the protein features be cached to increase the...
I currently see a custom implementation for `AttentionWithPairBias` that does the biasing of the attention scores with the pair-wise conditioning tensors. `FlexAttention` allows a neat way to get nice speedups...
Dear sir, Thx for your awesome work. I followed the instruction and set up the env. when I tried to run the inference test on sever (slurm), I got the...
I mentioned this to @eric-czech in my org and he offered to fix this, putting details for Eric here: Boltz1 does multi-GPU inference using a pytorch lightning Trainer. Each prediction...
Hello @jwohlwend and @gcorso, Great work with boltz1x, really impressive stuff. I was curious if it was possible to conduct inference without MSAs, and if you have explored any performance...
Fixes #275. Changes pyproject.toml so PyPi trifast is only requires on Linux since trifast requires triton which is only supported on Linux. Also makes main.py predict() method set use_trifast =...
Boltz 1.0.0 and current May 28, 2025 Boltz github source fails to install on Mac and Windows because Boltz requires the PyPi trifast package which depends on the PyPi triton...