aimsim-core
Advanced tools
| 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: [](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`: [](https://static.pepy.tech/personalized-badge/aimsim?period=total&units=none&left_color=grey&right_color=blue&left_text=Lifetime%20Downloads) |
+5
-1
| 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: [](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`: [](https://static.pepy.tech/personalized-badge/aimsim?period=total&units=none&left_color=grey&right_color=blue&left_text=Lifetime%20Downloads) |
+4
-0
@@ -13,2 +13,6 @@ <h1 align="center">AIMSim README</h1> | ||
| Repository Status: [](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`: [](https://static.pepy.tech/personalized-badge/aimsim?period=total&units=none&left_color=grey&right_color=blue&left_text=Lifetime%20Downloads) |
@@ -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: |
Sorry, the diff of this file is too big to display
Alert delta unavailable
Currently unable to show alert delta for PyPI packages.
1285115
0.13%10437
0.03%