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aimsim-core

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aimsim-core - npm Package Compare versions

Comparing version
2.2.1
to
2.2.2
+5
-1
aimsim_core.egg-info/PKG-INFO
Metadata-Version: 2.1
Name: aimsim_core
Version: 2.2.1
Version: 2.2.2
Summary: Core AIMSim molecular featurization and comparison utilities.

@@ -34,2 +34,6 @@ Home-page: https://github.com/VlachosGroup/AIMSim

Repository Status: [![Project Status: Inactive – The project has reached a stable, usable state but is no longer being actively developed; support/maintenance will be provided as time allows.](https://www.repostatus.org/badges/latest/inactive.svg)](https://www.repostatus.org/#inactive)
AIMSim has reached a stable, usable state but is no longer being actively developed; support/maintenance will be provided as time allows.
Downloads Stats:

@@ -36,0 +40,0 @@ - `aimsim`: [![Downloads](https://static.pepy.tech/badge/aimsim)](https://static.pepy.tech/personalized-badge/aimsim?period=total&units=none&left_color=grey&right_color=blue&left_text=Lifetime%20Downloads)

Metadata-Version: 2.1
Name: aimsim_core
Version: 2.2.1
Version: 2.2.2
Summary: Core AIMSim molecular featurization and comparison utilities.

@@ -34,2 +34,6 @@ Home-page: https://github.com/VlachosGroup/AIMSim

Repository Status: [![Project Status: Inactive – The project has reached a stable, usable state but is no longer being actively developed; support/maintenance will be provided as time allows.](https://www.repostatus.org/badges/latest/inactive.svg)](https://www.repostatus.org/#inactive)
AIMSim has reached a stable, usable state but is no longer being actively developed; support/maintenance will be provided as time allows.
Downloads Stats:

@@ -36,0 +40,0 @@ - `aimsim`: [![Downloads](https://static.pepy.tech/badge/aimsim)](https://static.pepy.tech/personalized-badge/aimsim?period=total&units=none&left_color=grey&right_color=blue&left_text=Lifetime%20Downloads)

@@ -13,2 +13,6 @@ <h1 align="center">AIMSim README</h1>

Repository Status: [![Project Status: Inactive – The project has reached a stable, usable state but is no longer being actively developed; support/maintenance will be provided as time allows.](https://www.repostatus.org/badges/latest/inactive.svg)](https://www.repostatus.org/#inactive)
AIMSim has reached a stable, usable state but is no longer being actively developed; support/maintenance will be provided as time allows.
Downloads Stats:

@@ -15,0 +19,0 @@ - `aimsim`: [![Downloads](https://static.pepy.tech/badge/aimsim)](https://static.pepy.tech/personalized-badge/aimsim?period=total&units=none&left_color=grey&right_color=blue&left_text=Lifetime%20Downloads)

+2
-1

@@ -250,2 +250,3 @@ """Tests for the Descriptor class"""

@unittest.skipIf(int(np.__version__[0]) >= 2, "MHFP fails on numpy >2 see https://github.com/reymond-group/mhfp/issues/6")
def test_minhash_fingerprint(self):

@@ -307,3 +308,3 @@ """Test creation of minhash fingerprint"""

"torsion_fingerprint",
"minhash_fingerprint",
# "minhash_fingerprint", -> upstream bug, see https://github.com/reymond-group/mhfp/issues/6
]

@@ -310,0 +311,0 @@ for desc in fprint_list:

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