You might be interested in using Guix [1] for reproducible research, as is reported earlier (for genomics analysis) [2] and still actively developed [3].
As a bonus, Guix and Nix [4] allow for modular and composable pipelines, where you can swap different components (such as to upgrade Python from 3.8 to 3.9, or to enable certain optimizations for some Python libraries, or to run on MacOS and Linux while keeping the whole stack more or less the same), which would be more difficult to do reproducibly with other tools such as Docker (composing Guix or Nix functions are easier than composing DOCKERFILE or Docker Compose).
[1]: https://ambrevar.xyz/guix-advance/
[2]: https://academic.oup.com/gigascience/article/7/12/giy123/511...
[3]: https://hpc.guix.info/blog/2020/11/hpc-reproducible-research...