François Bérenger

the README should be updated

1

I might have a look soon. Especially: remove old things related to Python 2. Create a troubleshooting section and move many things in there.

How to extract the molecules in sdf format?

1

Hello, For example, from: https://github.com/openforcefield/qca-dataset-submission/blob/master/submissions/2021-07-28-OpenFF-Industry-Benchmark-Season-1-MM-v1.1/dataset.json.bz2 Is there a script to extract the 3D conformers? Thanks, F.

parmap doesn't work super well?!

3

you can try parany (in opam) as a simple alternative. But parmap is supposed to work very well, in many use cases!

Currently, the wiki mentions parmap. While parmap is certainly nice, it does not cover all use cases. In some situations (like parallel stream processing), parany is better suited: https://github.com/UnixJunkie/parany If...

you may like

1

Cryptonomicon from Neal Stephenson and for sure The Codebreakers from David Kahn.

posix-semaphore

3

Maybe you can take inspiration from: https://github.com/mwweissmann/ocaml-posix-semaphore/

doesn't compile on freebsd

2

Looks like some clang/llvm header files are not the same than on Linux

- ast.ml and most c++ files are one part and could be BSD, as clang - all the rest is a different part and can be under INRIA's preferred license