UMA 1.1 checkpoint release (#1321)

* add 1p1 checkpoints

* rm large bulk for all calcs

* rm oam until cleaned up

Add zenodo tag to README.md (#1226)

* Add zenodo tag to README.md

* Update README.md

* Update README.md

add pbc v2 grid resolution bounds (#1204)

* add pbc v2 grid resolution bounds

* lint

* add better error; fix to use abs

* add better warning

* change to 200

Add zenodo tag to README.md (#1226)

* Add zenodo tag to README.md

* Update README.md

* Update README.md

update README (#1174)

* add logo back!

* double readme

Fairchemv2 docs update (#1160)

* put docs page under construction for now

* turn off notebooks

* update

* update

* update

* add more files

* add symlink to readme

* full clone

* fix symlink

* symlink doc index as well

* update toc

* update

* update to new interface

* remove symlink for docs index.md

* update

* fix catsumni toml

update README (#1174)

* add logo back!

* double readme

FairchemV2 UMA release 051325 (#1139)

Co-authored-by: Misko <misko@meta.com>
Co-authored-by: Luis Barroso-Luque <lbluque@users.noreply.github.com>
Co-authored-by: zulissimeta <122578103+zulissimeta@users.noreply.github.com>
Co-authored-by: Zachary Ulissi <zulissi@gmail.com>
Co-authored-by: rgao <rgao@meta>
Co-authored-by: Xiang <31351668+kyonofx@users.noreply.github.com>
Co-authored-by: xiangfu user <xiangfu@submit-2.fair-aws-h100-1.hpcaas>
Co-authored-by: jagritisahoo <jagritisahoo@meta.com>
Co-authored-by: Sushree Jagriti Sahoo <jagritisahoo@devfair0468.h2.fair>
Co-authored-by: Muhammed Shuaibi <45150244+mshuaibii@users.noreply.github.com>
Co-authored-by: xiangfu user <xiangfu@cr1-h100-p548xlarge-32.fair-aws-h100-1.hpcaas>
Co-authored-by: xiangfu user <xiangfu@cr1-h100-p548xlarge-68.fair-aws-h100-1.hpcaas>
Co-authored-by: Muhammed Shuaibi <mushuaibi@gmail.com>
Co-authored-by: lbluque <lbluque@meta.com>
Co-authored-by: xiangfu user <xiangfu@cr1-h100-p548xlarge-829.fair-aws-h100-1.hpcaas>
Co-authored-by: Xiang Fu <xiangfu@meta.com>
Co-authored-by: xiangfu user <xiangfu@cr1-h100-p548xlarge-5.fair-aws-h100-1.hpcaas>
Co-authored-by: Brandon Wood <bmwood@meta.com>
Co-authored-by: Vahe Gharakhanyan <gvahe96@berkeley.edu>
Co-authored-by: lbluque user <lbluque@berkeley.edu>

Docs reorg (#1085)

* Update deploy_docs.yml

* add widgets to fix doc tqdm warning

* first pass

* more reorg

* more reorg

* Update .gitignore

* revert gitignore

* clean up intro, add info on generative models

* comment out missing sections for now

* add example pkls back

---------

Co-authored-by: Zachary Ulissi <zulissi@gmail.com>

Config descriptors (#1083)

* implement descriptor for config access in runners/reducers

* docstring

* generalize to managed attribute

* fix mock runner/reducer

* add runner_type to mockrunner

* typing fix

* update docstrings