Returning to snake's nest after a long journey, any major advances in python for science ?

This page summarizes the projects mentioned and recommended in the original post on /r/Python

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  • jax

    Composable transformations of Python+NumPy programs: differentiate, vectorize, JIT to GPU/TPU, and more

  • It's relatively early days yet, but JAX is in the process of developing its nascent scientific computing / scientific machine learning ecosystem. Mostly because of its strong autodifferentiation capabilities, excellent JIT compiler etc. (E.g. to show off one of my own projects, Diffrax is the library of diffeq solvers for JAX.)

  • diffrax

    Numerical differential equation solvers in JAX. Autodifferentiable and GPU-capable. https://docs.kidger.site/diffrax/

  • It's relatively early days yet, but JAX is in the process of developing its nascent scientific computing / scientific machine learning ecosystem. Mostly because of its strong autodifferentiation capabilities, excellent JIT compiler etc. (E.g. to show off one of my own projects, Diffrax is the library of diffeq solvers for JAX.)

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  • esm

    Evolutionary Scale Modeling (esm): Pretrained language models for proteins (by facebookresearch)

  • Likewise PyTorch is seeing a lot of sciml work, in particular to do with protein design. (See e.g. ESM2.)

  • pyright

    Static Type Checker for Python

  • As other folks have commented, type hints are now a big deal. For static typing the best checker is pyright. For runtime checking there is typeguard and beartype. These can be integrated with array libraries through jaxtyping. (Which also works for PyTorch/numpy/etc., despite the name.)

  • typeguard

    Run-time type checker for Python

  • As other folks have commented, type hints are now a big deal. For static typing the best checker is pyright. For runtime checking there is typeguard and beartype. These can be integrated with array libraries through jaxtyping. (Which also works for PyTorch/numpy/etc., despite the name.)

  • beartype

    Unbearably fast near-real-time hybrid runtime-static type-checking in pure Python.

  • As other folks have commented, type hints are now a big deal. For static typing the best checker is pyright. For runtime checking there is typeguard and beartype. These can be integrated with array libraries through jaxtyping. (Which also works for PyTorch/numpy/etc., despite the name.)

  • jaxtyping

    Type annotations and runtime checking for shape and dtype of JAX/NumPy/PyTorch/etc. arrays. https://docs.kidger.site/jaxtyping/

  • As other folks have commented, type hints are now a big deal. For static typing the best checker is pyright. For runtime checking there is typeguard and beartype. These can be integrated with array libraries through jaxtyping. (Which also works for PyTorch/numpy/etc., despite the name.)

  • WorkOS

    The modern identity platform for B2B SaaS. The APIs are flexible and easy-to-use, supporting authentication, user identity, and complex enterprise features like SSO and SCIM provisioning.

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NOTE: The number of mentions on this list indicates mentions on common posts plus user suggested alternatives. Hence, a higher number means a more popular project.

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