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Commits : Listings

Analyzed 1 day ago. based on code collected 2 days ago.
Nov 15, 2024 — Nov 15, 2025
Commit Message Contributor Files Modified Lines Added Lines Removed Code Location Date
Merge remote-tracking branch 'upstream/master' More... about 6 years ago
Use canonical SMILES to check stereochemistry More... about 6 years ago
Merge remote-tracking branch 'upstream/master' into some_tests More... about 6 years ago
Merge remote-tracking branch 'upstream/master' into some_tests More... about 6 years ago
Convert atom id to atom index More... about 6 years ago
Move BFGS library More... about 6 years ago
Merge pull request #2026 from n-yoshikawa/fix-obabel-fast More... about 6 years ago
Merge pull request #2026 from n-yoshikawa/fix-obabel-fast More... about 6 years ago
Update coordinates in fast option of obabel More... about 6 years ago
Update coordinates in fast option of obabel More... about 6 years ago
Add MMFF94s tests and MMFF94 + dielectric constant unit tests. More... about 6 years ago
Add MMFF94s tests and MMFF94 + dielectric constant unit tests. More... about 6 years ago
Add force field support for dielectric constants in charge terms. More... about 6 years ago
Add force field support for dielectric constants in charge terms. More... about 6 years ago
Merge pull request #2012 from Artoria2e5/patch-1 More... about 6 years ago
Merge pull request #2012 from Artoria2e5/patch-1 More... about 6 years ago
Merge pull request #1980 from e-kwsm/update-mol-url More... about 6 years ago
Merge pull request #1980 from e-kwsm/update-mol-url More... about 6 years ago
add quotes (#1988) More... about 6 years ago
add quotes (#1988) More... about 6 years ago
PDB and PDBQT Insertion Code Fixes (#1998) More... about 6 years ago
PDB and PDBQT Insertion Code Fixes (#1998) More... about 6 years ago
Merge remote-tracking branch 'upstream/master' More... about 6 years ago
Merge remote-tracking branch 'upstream/master' More... about 6 years ago
Merge pull request #2017 from PeaWagon/master More... about 6 years ago
Merge pull request #2017 from PeaWagon/master More... about 6 years ago
change forcefield.cpp so that steepest descent and conjugate gradients update maxgrad; proposed fix for github issue 1366 More... about 6 years ago
change forcefield.cpp so that steepest descent and conjugate gradients update maxgrad; proposed fix for github issue 1366 More... about 6 years ago
Merge remote-tracking branch 'upstream/master' More... about 6 years ago
Merge remote-tracking branch 'upstream/master' More... about 6 years ago