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chore: update atomea

aalexmmaldonadopushed 2 commits to metalflare-migration • 011c072…f1ba8b6 • 
7 days ago

feat: migrate box dimensions

aalexmmaldonadopushed 2 commits to metalflare-migration • 611a597…011c072 • 
7 days ago

feat: add structure centering cli

aalexmmaldonadopushed 7 commits to metalflare-migration • 2dd209b…611a597 • 
7 days ago

refactor: use subcommands in CLI

aalexmmaldonadopushed 4 commits to metalflare-migration • 0b651d1…2dd209b • 
8 days ago

tests: simple chain extraction from PDB

aalexmmaldonadopushed 3 commits to metalflare-migration • be97b8f…0b651d1 • 
8 days ago

Finally fix atomea install

aalexmmaldonadocreated metalflare-migration • be97b8f • 
8 days ago

Finally fix atomea install

aalexmmaldonadopushed 1 commit to main • 934e336…be97b8f • 
8 days ago

Update atomea

aalexmmaldonadopushed 1 commit to main • 4321749…934e336 • 
8 days ago

feat: start CLI

aalexmmaldonadopushed 7 commits to main • 7303f5f…4321749 • 
9 days ago

Fix doc links

aalexmmaldonadopushed 2 commits to main • 6062755…7303f5f • 
11 days ago

Fix GitHub CI

aalexmmaldonadopushed 1 commit to main • df63f39…6062755 • 
11 days ago

Remove api

aalexmmaldonadopushed 1 commit to main • 9d310aa…df63f39 • 
11 days ago

move to pixi

aalexmmaldonadopushed 1 commit to main • 5596df7…9d310aa • 
11 days ago

build: bump atomea

aalexmmaldonadopushed 1 commit to main • f779e32…5596df7 • 
on Sep 1, 2024

docs: add molstar

aalexmmaldonadopushed 1 commit to main • 5ba729a…f779e32 • 
on Aug 31, 2024

Update readme

aalexmmaldonadopushed 1 commit to main • a0fe60e…5ba729a • 
on Aug 31, 2024

docs: add developing

aalexmmaldonadopushed 1 commit to main • 4603000…a0fe60e • 
on Aug 31, 2024

docs: Fix mkdocstrings deps

aalexmmaldonadopushed 1 commit to main • aa16efe…4603000 • 
on Aug 31, 2024

chore: update lock file

aalexmmaldonadopushed 1 commit to main • 110b8bd…aa16efe • 
on Aug 31, 2024

chore: finish moving to GitHub

aalexmmaldonadopushed 1 commit to main • 205d681…110b8bd • 
on Aug 31, 2024

ci: fix makefile

aalexmmaldonadopushed 1 commit to main • 2fcf193…205d681 • 
on Aug 26, 2024

GitHub -> GitLab

aalexmmaldonadopushed 1 commit to main • f923f48…2fcf193 • 
on Aug 26, 2024

refactor: start 02-sys-prep script

aalexmmaldonadopushed 1 commit to main • 05b44f3…f923f48 • 
on Jun 29, 2024

chore: streamline log file path

aalexmmaldonadopushed 1 commit to main • 69d77a7…05b44f3 • 
on Jun 29, 2024

docs: mol width 100%

aalexmmaldonadopushed 1 commit to main • 1f3f1eb…69d77a7 • 
on Jun 26, 2024

docs: start adding more info for HIV protease

aalexmmaldonadopushed 2 commits to main • 817cbbb…1f3f1eb • 
on Jun 26, 2024

docs: update case study organization

aalexmmaldonadopushed 2 commits to main • 9b3ddfa…817cbbb • 
on Jun 25, 2024

refactor: Add more comments

aalexmmaldonadopushed 4 commits to main • 1f3dce5…9b3ddfa • 
on Jun 24, 2024

Rearrange pdb files

aalexmmaldonadopushed 1 commit to main • 4c9267e…1f3dce5 • 
on Jun 24, 2024

fix: working on renumbering

aalexmmaldonadopushed 1 commit to main • 4771cab…4c9267e • 
on Jun 24, 2024