commits

SHA	Message	Author	Date
f7d4c80a	Update README.md	Alex Morehead <a**d@gm> Committed by: GitHub <ny@g**m>	11 months ago
7caddec0	Update README.md	Alex Morehead <a**d@gm> Committed by: GitHub <ny@g**m>	11 months ago
6b79fb4c	Document availability of DIPS-Plus in OMol25	Alex Morehead <a**d@gm> Committed by: GitHub <ny@g**m>	11 months ago
bed1cd22	Update README.md	Alex Morehead <a**d@gm> Committed by: GitHub <ny@g**m>	almost 3 years ago
7b8d1375	Update README.md	Alex Morehead <a**d@g**m>	about 3 years ago
75775d98	Update README.md	Alex Morehead <a**d@g**m>	about 3 years ago
2ec2ece8	Update README.md	Alex Morehead <a**d@g**m>	about 3 years ago
7ff32784	merge Merge pull request #21 from BioinfoMachineLearning/new-features	Alex Morehead <a**d@gm> Committed by: GitHub <ny@g**m>	about 3 years ago
a1421b22	Update Zenodo link	Alex Morehead <a**d@g**m>	about 3 years ago
a2cc682e	Update .gitignore	Alex Morehead <a**d@g**m>	about 3 years ago
5fdab10e	Update .gitignore	Alex Morehead <a**d@g**m>	about 3 years ago
72f09ddf	Update styling for interface waters analysis plots	Alex Morehead <a**d@g**m>	about 3 years ago
b233c80b	Ignore needless Hickle warnings	Alex Morehead <a**d@g**m>	about 3 years ago
8bf3572b	Make HDF5 dataset creation script compute-parallel	Alex Morehead <a**d@g**m>	about 3 years ago
0fae9ce8	Disable all DEBUG messages coming from Graphein	Alex Morehead <a**d@g**m>	about 3 years ago
4ebce530	Adjust libraries' verbosity, and add plots for interface water analysis	Alex Morehead <a**d@g**m>	about 3 years ago
9183776d	Add more error catching for new feature insertion script	Alex Morehead <a**d@g**m>	about 3 years ago
fbb1c97f	Subset protein graphs when adding new features	Alex Morehead <a**d@g**m>	about 3 years ago
c73a40b0	Add more error catching to interface waters analysis script	Alex Morehead <a**d@g**m>	about 3 years ago
a1eeffb0	Enhance error catching in analysis and builder scripts	Alex Morehead <a**d@g**m>	about 3 years ago
5e4eeef1	Catch errors in interface waters analysis script	Alex Morehead <a**d@g**m>	about 3 years ago
e5572ddf	Add feature insertion script	Alex Morehead <a**d@g**m>	about 3 years ago
fb83378e	Catch corner cases in feature analysis script	Alex Morehead <a**d@g**m>	about 3 years ago
71d22c81	Correct analysis loop	Alex Morehead <a**d@g**m>	about 3 years ago
6bf82ce6	Add feature correlation analysis script	Alex Morehead <a**d@g**m>	about 3 years ago
d8132502	Add script for analyzing experiment types and resolution	Alex Morehead <a**d@g**m>	about 3 years ago
ca217856	Export all training and validation PDBs as a metadata CSV file when analyzing...	Alex Morehead <a**d@g**m>	about 3 years ago
b1396352	Begin adding analysis scripts	Alex Morehead <a**d@g**m>	about 3 years ago
eefc9825	Add the ability to download obsolete PDBs when discovered during filename par...	Alex Morehead <a**d@g**m>	about 3 years ago
5fde7612	Remove debugging code in structure-based filtering logic	Alex Morehead <a**d@g**m>	about 3 years ago
667578c9	Add new default split strategy using FoldSeek for structure-based filtering o...	Alex Morehead <a**d@g**m>	about 3 years ago
8b270fe5	Add assertion for IDR annotation	Alex Morehead <a**d@g**m>	about 3 years ago
2dc0276a	Add IDR propensities residue-wise	Alex Morehead <a**d@g**m>	about 3 years ago
b4061994	merge Merge pull request #20 from BioinfoMachineLearning/refactor	Alex Morehead <a**d@gm> Committed by: GitHub <ny@g**m>	about 3 years ago
534bc1ef	merge Merge branch 'main' of https://github.com/BioinfoMachineLearning/DIPS-Plus in...	Alex Morehead <a**d@g**m>	about 3 years ago
33f0d0bb	merge Merge pull request #19 from BioinfoMachineLearning/dependabot/pip/setuptools-...	Alex Morehead <a**d@gm> Committed by: GitHub <ny@g**m>	about 3 years ago
7742b6b2	Bump setuptools from 56.2.0 to 65.5.1 Signed-off-by: dependabot[bot] <s**t@g**m>	dependabot[bot] <4**]@um> Committed by: GitHub <ny@g**m>	about 3 years ago
2d871fd4	Add new DOI for supplementary data	Alex Morehead <a**d@g**m>	about 3 years ago
6f56189b	Clean up setup.py	acmwhb <a**b@s**u>	about 3 years ago
fb59ee18	Add initial files for refactor and upgrade	Alex Morehead <a**d@g**m>	about 3 years ago
696ffdfa	Update README	Alex Morehead <a**d@g**m>	about 3 years ago
18884b04	Replace Conda with Mamba, and add bibtex file	Alex Morehead <a**d@g**m>	about 3 years ago
ea3e0daf	merge Merge pull request #10 from qazwsxal/main	Alex Morehead <a**d@gm> Committed by: GitHub <ny@g**m>	over 4 years ago
11a984e7	fix pip dependency syntax	#Adam Leach <q**n@g**m>	over 4 years ago
0b280446	Upgrade atom3-py3 per bug fix	Alex Morehead <a**d@g**m>	almost 5 years ago
febf58ea	Sync up version number	Alex Morehead <a**d@g**m>	almost 5 years ago
ec902870	Add psaia_dir argument to PSAIA feature generation script	Alex Morehead <a**d@g**m>	almost 5 years ago
a43ab524	Upgrade atom3-py3 version listed to gain access to PSAIA error code handling ...	Alex Morehead <a**d@g**m>	almost 5 years ago
748ce0c8	merge Merge pull request #4 from BioinfoMachineLearning/develop	Alex Morehead <a**d@gm> Committed by: GitHub <ny@g**m>	almost 5 years ago
7da03fe4	Update README	Alex Morehead <a**d@g**m>	almost 5 years ago
4650b712	Add missing (possible) argument to feature imputation example	Alex Morehead <a**d@g**m>	almost 5 years ago
7ba2c460	merge Merge pull request #3 from amorehead/develop	Alex Morehead <a**d@gm> Committed by: GitHub <ny@g**m>	almost 5 years ago
ba789d72	Add CASP-CAPRI initial support	Alex Morehead <a**d@g**m>	almost 5 years ago
5077f12a	Add CASP-CAPRI parallel processing scripts	Alex Morehead <a**d@g**m>	almost 5 years ago
b1b78e47	Bump atom3-py3	Alex Morehead <a**d@g**m>	almost 5 years ago
33c715e3	Add CASP-CAPRI PSAIA config file	Alex Morehead <a**d@g**m>	almost 5 years ago
af281fa4	Add CASP-CAPRI support to feature generation pipeline	Alex Morehead <a**d@g**m>	almost 5 years ago
a770b377	add CASP-CAPRI ignores	Alex Morehead <a**d@g**m>	almost 5 years ago
663140d0	Bump atom3-py3	Alex Morehead <a**d@g**m>	almost 5 years ago
0f8f6696	Add EVCoupling script	Alex Morehead <a**d@g**m>	almost 5 years ago
3631a088	Add EVCoupling script	Alex Morehead <a**d@g**m>	almost 5 years ago
1c5e112e	Bump atom3-py3	Alex Morehead <a**d@g**m>	almost 5 years ago
b0ab7859	Add EVCoupling as HHSuite source_type	Alex Morehead <a**d@g**m>	almost 5 years ago
17a22b35	Correct EVCoupling PSAIA output dir	Alex Morehead <a**d@g**m>	almost 5 years ago
207cce95	Allow EVCoupling as a source_type	Alex Morehead <a**d@g**m>	almost 5 years ago
2570d5c2	Add PSAIA config file for EVCoupling	Alex Morehead <a**d@g**m>	almost 5 years ago
29d586b9	Begin testing integration of EVCoupling	Alex Morehead <a**d@g**m>	almost 5 years ago
8820aedd	Update dataset filename partitioning logic to match latest codebase changes	Alex Morehead <a**d@g**m>	almost 5 years ago
a03d6a2f	Begin adding EVCoupling support to the data generation pipeline	Alex Morehead <a**d@g**m>	almost 5 years ago
3abb2cef	Make Python version invocations explicit	Alex Morehead <a**d@g**m>	almost 5 years ago
534b5ce0	Update README.md	Alex Morehead <a**d@gm> Committed by: GitHub <ny@g**m>	about 5 years ago
179ad2b4	Update README.md	Alex Morehead <a**d@gm> Committed by: GitHub <ny@g**m>	about 5 years ago
0f4dc1f5	Update README.md	Alex Morehead <a**d@gm> Committed by: GitHub <ny@g**m>	about 5 years ago
d9861230	Correct list of DB5 test complex filenames	Alex Morehead <a**d@g**m>	about 5 years ago
470d44c1	Update README.md	Alex Morehead <a**d@gm> Committed by: GitHub <ny@g**m>	about 5 years ago
499d6309	Update README.md	Alex Morehead <a**d@gm> Committed by: GitHub <ny@g**m>	about 5 years ago
5204367e	Simplify and streamline feature imputation function	Alex Morehead <a**d@g**m>	about 5 years ago
47b383a9	Add advanced logging flag to feature imputation script	Alex Morehead <a**d@g**m>	about 5 years ago
76c2929b	Add more logging details in feature imputation script, decrease MAX_ALLOWABLE...	Alex Morehead <a**d@g**m>	about 5 years ago
f0eee510	Add additional check for 'NA' RSA values in feature imputation script	Alex Morehead <a**d@g**m>	about 5 years ago
b710796e	Fix spacing	Alex Morehead <a**d@g**m>	about 5 years ago
10285e64	Bump PyPI package version	Alex Morehead <a**d@g**m>	about 5 years ago
10ce95a6	Remove pytorch-lightning references	Alex Morehead <a**d@g**m>	about 5 years ago
04b7224d	Update PyPI package version	Alex Morehead <a**d@g**m>	about 5 years ago
8d97b0de	Add PyPI required packages	Alex Morehead <a**d@g**m>	about 5 years ago
5db61f8f	Add PyPI button to README	Alex Morehead <a**d@g**m>	about 5 years ago
07b56060	merge Merge branch 'main' of https://github.com/amorehead/DIPS-Plus	Alex Morehead <a**d@g**m>	about 5 years ago
efd5747b	Fix PyPI README parsing	Alex Morehead <a**d@g**m>	about 5 years ago
a7b5e72c	Update citation and paper link	Alex Morehead <a**d@g**m>	about 5 years ago
c0f65468	Update citation	Alex Morehead <a**d@g**m>	about 5 years ago
f7cdd4d9	Update project citation formatting	Alex Morehead <a**d@g**m>	about 5 years ago
d7f0994d	Update DB5 README again	Alex Morehead <a**d@g**m>	about 5 years ago
f7c18471	Update DB5 README	Alex Morehead <a**d@g**m>	about 5 years ago
b55eb397	Update project citation	Alex Morehead <a**d@g**m>	about 5 years ago
de65943e	Update project citation	Alex Morehead <a**d@g**m>	about 5 years ago
28c4b9c8	Update project title	Alex Morehead <a**d@g**m>	about 5 years ago
294f1894	Update README and HHsuite script	Alex Morehead <a**d@g**m>	about 5 years ago
8c1b6d6e	Remove extra space in README	Alex Morehead <a**d@g**m>	about 5 years ago
e4c378ac	Add directory structure to README and update Conda environment and .gitignore	Alex Morehead <a**d@g**m>	about 5 years ago
220ad12c	Make final changes after latest generation of DIPS-Plus	Alex Morehead <a**d@g**m>	about 5 years ago

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