Boltz 1-X

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Profile [VENETO] boboviz

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Message 112594 - Posted: 27 Apr 2025, 20:09:34 UTC

Boltz-1 is a great tools from MIT, but, as said the creators of tool: "often failed to fully respect physical laws. This led to issues like distorted internal geometries, wrong chirality, steric clashes, and even overlapping chains".
So, now, they create Boltz-1X that solves these problems and have a lot of new features (like Cuda kernels or prediction of cyclic peptides)
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Profile [VENETO] boboviz

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Joined: 1 Dec 05
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Credit: 11,645,665
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Message 112771 - Posted: 7 Jun 2025, 6:06:32 UTC
Last modified: 7 Jun 2025, 6:10:29 UTC

Some weeks after Boltz 1-X, they released Boltz 2 (under fully-MIT permissive license with the community)


Binding affinity prediction for protein-small molecules, closing the gap with free energy perturbation methods at 1000x speedup!
More user control via structural templates (including mutlimeric), contact and method conditioning.
Improved performance on antibodies and other modalities
Improved modeling of ensembles when using MD conditioning

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Message boards : Rosetta@home Science : Boltz 1-X



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