Tom Goddard
Tom Goddard
In the multistate exosome example one of the starting models (Ski7_3izq...) is only used in state 3, but it is being displayed unaligned on the output model for state 2....
For visualization ChimeraX aligns the starting models to the first output model of the first model group and only shows that output model superimposed with the starting models initially. Often...
When a non-contiguous numpy array is passed to glTexImage2D(), or glBufferSubData() or probably any PyOpenGL routine that can take a numpy array it leaks memory. The reference count of the...
WGL extensions are not found when using Python 3 due to use of strings where bytes are required. Below is a traceback trying to use the WGL_EXT_swap_control extension. Changing 3...
Currently the pyopenxr setup.cfg file pins the PyOpenGL version to 3.1.6 while the current PyOpenGL version is 3.1.7 ``` ; PyOpenGL 3.1.7 causes CI failure on github/ubuntu PyOpenGL==3.1.6 ``` The...
The affinity.yaml example runs without errors with my Boltz 2.0.2 installation (Github SHA faa24790861edfc87dd52555d2bd8ad39a39aa85) and produces correct output but if I replace the SMILES string ligand with a CCD ligand...
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...
Fixes #263. This allows predicting structures with 40% more residues without running out of GPU memory. I tested on a half-dozen PDB structures and did not see any loss of...
A major limitation of Boltz is that it uses a lot of GPU memory compared say to AlphaFold 3 so predictions run out of memory. This is especially problematic on...