0.0.13

What's Changed

• fix ab rmsd with extra selector by @kleinhenz in #95
• vectorize more quaternion operations by @kleinhenz in #94
• deps: Add netcdf4 to mdtraj optional dependencies by @etherealsunshine in #98
• frames by @kleinhenz in #93
• selectors by @kleinhenz in #99

New Contributors

• @etherealsunshine made their first contribution in #98

Full Changelog: 0.0.12...0.0.13

0.0.12

What's Changed

• Remove missing values from TDC Datasets by @karinazad in #61
• beignet.root_scalar by @kleinhenz in #26
• small fixes by @kleinhenz in #84
• ci by @kleinhenz in #87
• test precision by @kleinhenz in #90
• pep585 by @kleinhenz in #89
• vectorize quaternion_to_rotation_matrix by @kleinhenz in #92
• ResidueArray by @kleinhenz in #88

Full Changelog: 0.0.11...0.0.12

0.0.11

What's Changed

• fix docs by @kleinhenz in #55
• optional_dependencies by @0x00b1 in #58
• ChEMBL, ZINC dataset y_keys and separator by @karinazad in #60

Contributors

• @kleinhenz
• @0x00b1
• @karinazad

Full Changelog: 0.0.10...0.0.11

0.0.10

What's Changed

• make lmdb dependency more optional by @kleinhenz in #54

Full Changelog: 0.0.9...0.0.10

0.0.9

What's Changed

• convolve operator by @0x00b1 in #41
• removed torchaudio by @0x00b1 in #52

Full Changelog: 0.0.8...0.0.9

0.0.8

What's Changed

• Features by @0x00b1 in #21
• Random rotation datasets by @0x00b1 in #22
• error function on complex domain by @kleinhenz in #27
• UniProt datasets by @0x00b1 in #19
• beignet.func.space by @henry-isaacson in #11
• Lennard-Jones potential by @0x00b1 in #36
• faddeeva improvements by @kleinhenz in #31
• Series operators by @0x00b1 in #38
• Ranked Farthest First Traversal by @samuelstanton in #28
• HDF5TrajectoryDataset by @0x00b1 in #40
• doc cleanup by @0x00b1 in #42
• datasets by @0x00b1 in #43
• unpin torch by @kleinhenz in #47

New Contributors

• @kleinhenz made their first contribution in #27
• @henry-isaacson made their first contribution in #11
• @samuelstanton made their first contribution in #28

Full Changelog: 0.0.7...0.0.8

0.0.7

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