Jake M.

icon indicating a website link jmohin.com icon indicating an email [email protected]

icon company Albert Invent (@MoleculeEngineering) icon location Pittsburgh, PA icon location Solutions Engineer @MoleculeEngineering (aja Albert Invent) Chemistry, Polymer and Materials scientist, Data scientist, and programmer

Results 6 comments of Jake M.

macOS Sonoma Crash

Same for me: Crashed Thread: 14 Dispatch queue: CA DispatchGroup Exception Type: EXC_BAD_ACCESS (SIGSEGV) Exception Codes: KERN_INVALID_ADDRESS at 0x000000000000024a Exception Codes: 0x0000000000000001, 0x000000000000024a Termination Reason: Namespace SIGNAL, Code 11 Segmentation...

gpmol dependency

Still waiting on release of GPmol -- coming up on 4 years now. Would love to reproduce these results and do some extensions. Some [other group's papers](https://github.com/Tabor-Research-Group/redox_mol_screening) are claiming it...

gpmol dependency

Thanks! I'll play with the notebooks.

gpmol dependency

The notebooks fail to import gpHSP due to a dependency on gpFlow within the gphsp.py file: ModuleNotFoundError: No module named 'gpflow'

gpmol dependency

nevermind- was able to satisfy that dependency

Fixing full_fact function and docs updated

Can this be merged? I have this bug too