0000000000000000000000000000000000000000 2f9649505968c2cbbd1a2f9ebe86739a319baa40 Josh Mitchell <yoshanuikabundi@gmail.com> 1665536655 +1100	commit (initial): Attempt to run BespokeFit in Toolkit 0.11 environment
2f9649505968c2cbbd1a2f9ebe86739a319baa40 4a995a2cc3595e8b4071b1f9d5586c34f5a15fc9 Josh Mitchell <yoshanuikabundi@gmail.com> 1665657680 +1100	commit: Checkpoint
4a995a2cc3595e8b4071b1f9d5586c34f5a15fc9 96d74261167608bc1fae5c359f7120728f4163f8 Josh Mitchell <yoshanuikabundi@gmail.com> 1665659164 +1100	commit: Fragment depiction in rdkit
96d74261167608bc1fae5c359f7120728f4163f8 7f92e8f6b992fcecf0766687e768dc9e3921f08d Josh Mitchell <yoshanuikabundi@gmail.com> 1666026973 +1100	commit: Finish up notebooks
7f92e8f6b992fcecf0766687e768dc9e3921f08d 32803ad9a8fd78c9f38be9db0391a9f9b7f90126 Josh Mitchell <yoshanuikabundi@gmail.com> 1666027469 +1100	commit: Update install instructions
32803ad9a8fd78c9f38be9db0391a9f9b7f90126 fed1985a13889a45317f4d0fac6e829af1fd53c8 Josh Mitchell <yoshanuikabundi@gmail.com> 1666028016 +1100	commit: Update environment
fed1985a13889a45317f4d0fac6e829af1fd53c8 1f16dbf34a5107a69dfe3f776e5b126a54260677 Josh Mitchell <yoshanuikabundi@gmail.com> 1666068342 +1100	commit: Updates for Binder
1f16dbf34a5107a69dfe3f776e5b126a54260677 12a2802ac0a6f388e090c84d484e879280f288bd Josh Mitchell <yoshanuikabundi@gmail.com> 1666075138 +1100	commit: Don't fragment every molecule
12a2802ac0a6f388e090c84d484e879280f288bd 82e44e3d6e69e39acb3294b9e5223e8f950ed9c6 Josh Mitchell <yoshanuikabundi@gmail.com> 1666075462 +1100	commit: Use a single core
82e44e3d6e69e39acb3294b9e5223e8f950ed9c6 73df0a066afe5a5a9979a97c6896be8efe30540c Josh Mitchell <yoshanuikabundi@gmail.com> 1666075497 +1100	commit: clear outputs
73df0a066afe5a5a9979a97c6896be8efe30540c 769599e7149be9c46e0e4a4b9e78a12080040db3 Josh Mitchell <yoshanuikabundi@gmail.com> 1666076571 +1100	commit: Tweaks
769599e7149be9c46e0e4a4b9e78a12080040db3 231089acc0315655c0efdadd1e9e3d89651b1acc Josh Mitchell <yoshanuikabundi@gmail.com> 1666082323 +1100	commit: Fix rdkit
231089acc0315655c0efdadd1e9e3d89651b1acc ea9cf31ec1397d46ab057deab22e2b55bd59d94f Josh Mitchell <yoshanuikabundi@gmail.com> 1666129576 +1100	commit: Fixes from Jeff's notes
ea9cf31ec1397d46ab057deab22e2b55bd59d94f 00d35dded8694db960846c73f955ecca31758f0e Josh Mitchell <yoshanuikabundi@gmail.com> 1666147199 +1100	commit: Typo
00d35dded8694db960846c73f955ecca31758f0e eb36386a3a4833ca7020e4640500b94648606a3d Josh Mitchell <yoshanuikabundi@gmail.com> 1666147344 +1100	commit: Clear outputs
eb36386a3a4833ca7020e4640500b94648606a3d 372fcaa6edcb8ac384730f3f15e29d2e071ea9ec Josh Mitchell <yoshanuikabundi@gmail.com> 1666150422 +1100	commit: Fix mamba env create line
372fcaa6edcb8ac384730f3f15e29d2e071ea9ec 82cfa1fe8b44850ea4cc879abf70c38f546ba47e Josh Mitchell <yoshanuikabundi@gmail.com> 1666150453 +1100	rebase (finish): refs/heads/main onto 162333102a292d9dd533b2f8b53cb3eb1fad3a48
82cfa1fe8b44850ea4cc879abf70c38f546ba47e e0c8bc65e4564c5a8c4a310038ef58191f493d6b Josh Mitchell <yoshanuikabundi@gmail.com> 1666153455 +1100	commit: Fix memory usage
e0c8bc65e4564c5a8c4a310038ef58191f493d6b 1b222372d6c238f39d84e4a7017a8e52edf9b048 Josh Mitchell <yoshanuikabundi@gmail.com> 1666154135 +1100	commit: Add pre-trained force field
1b222372d6c238f39d84e4a7017a8e52edf9b048 4b4a0e4f6783a563d126411b4ae66f58e1438782 Josh Mitchell <yoshanuikabundi@gmail.com> 1666154254 +1100	commit: Add preBuild to pre-build env-toolkit
