UnixJunkie
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821 contributions in the last year
Activity overview
Contribution activity
June 2022
Created 7 repositories
- UnixJunkie/all-algorithms-python Python
- UnixJunkie/QCforever Python
- UnixJunkie/blog_post_example_scripts Python
- UnixJunkie/Atom-Path-Descriptor-based-machine-learning Python
- UnixJunkie/QUIP Fortran
- UnixJunkie/glosim Python
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UnixJunkie/ase-mirror
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Created a pull request in ocaml/opam-repository that received 8 comments
Opened 2 other pull requests in 2 repositories
lab-cosmo/librascal
1
closed
ocaml/opam-repository
1
open
Reviewed 1 pull request in 1 repository
ocaml/opam-repository
1 pull request
Created an issue in lab-cosmo/librascal that received 15 comments
Is there a way to transform a classical xyz file to the extended xyz format your are using in reference_data/inputs ? [question]
Hello, It seems you are using an extended xyz file format. The second line for each molecule is a comment with some Lattice specification and other…
15
comments
Opened 9 other issues in 4 repositories
lab-cosmo/librascal
1
open
3
closed
- librascal/build/third-party/wigxjpf-download/\ wigxjpf-prefix/src/wigxjpf-stamp/download-wigxjpf.cmake:159 (message): Each download failed!
- doesn't install/buid on CentOS 7.9.2009
- Is it possible to dump/display a SOAP-encoded atom as a vector of floats? [question]
- Is it possible to train and predict a per-atom property? [question]