Cheuk Hin Ho

Question about fine tuning

3

Sorry for disturbing. I have some problem on fine tuning with pretrained parameters. I tried to fine tune the ShapeNet55 PoinTr on a specific "Bench" subset of ShapeNet. What I...

Multithreading on different platforms

3

_Originally posted by @peastman in https://github.com/openmm/openmm/issues/2535#issuecomment-1934686427_ Following from a previous issue - yes I am aware that Python has a GIL and that was actually the reason why I chose...

Hi developers, I have implemented a simple version of lammps-like skin layer for neighbourlist in here: https://github.com/CheukHinHoJerry/torch-dftd (see Readme for a short summary). The motivation of having this is to...

Cannot load file example `zspy`

2

#### Describe the bug A clear and concise description of what the bug is. Installing `hyperspy` from `pip install`, on version `1.7.5`. I got this to work on my another...

Using pyscfad gto basis in jax models

2

Hi developers, I am trying to build jax models with pyscf basis and trying to get ad to work. I define a wrapper class for this gto basis with ```python...