Muammar El Khatib

Orca Harness.

23

## Description Orca Harness. It goes along with https://github.com/MolSSI/QCElemental/pull/186. ## Status - [x] WIP - [ ] Ready to go

qcfractal-server assumes pg_ctl is provided by your linux distro

9

**Describe the bug** `qcfractal-server` is assuming all Linux distros distribute `pg_ctl`. That is not the case when using Debian as can be seen here: https://wiki.debian.org/PostgreSql#pg_ctl_replacement. This might be easy to...

qcfractal-server guesses pg_ctl for Debian distros

1

## Description qcfractal-server is assuming all Linux distros distribute pg_ctl. That is not the case when using Debian as can be seen here: https://wiki.debian.org/PostgreSql#pg_ctl_replacement. This might be easy to fix...

There is empirical evidence that Chemprop can learn meaningful representations from a dataset of at least 1K pairs SMILES/properties. I think it has been the case for most of the...

readwrite option not working

16

Thanks for this effort you are making by enabling apfs on Linux. I used your other tool to format an external hard disk, and everything seems to work. When I...

./launch.sh config assumes /bin/bash

1

I don't use bash, but zsh. When trying `./launch.config config` on the `dev` branch, the script assumes bash. Do you plan to support other shells?

I already did this before. I have to add this model and modify the data class so that the code is not slow. This is related to issue #2. -...

1. Load in pre-trained weights from a network trained on a large dataset 1. Freeze all the weights in the lower (convolutional) layers: the layers to freeze are adjusted depending...

Add Gaussian Process Model

1

Another one to the zoo.