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This repository was archived by the owner on Jun 30, 2026. It is now read-only.

Releases: NatLabRockies/nfp

Support for Keras 3

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@jlaw9 jlaw9 released this 24 Jun 19:51
f8e8cf0

Update to support Keras 3. Tested with Tensorflow v2.20

patch for install without rdkit

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@pstjohn pstjohn released this 27 Apr 17:05
bec6615
0.3.12

Update mol_preprocessor.py

support for python 3.6

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@pstjohn pstjohn released this 27 Apr 15:49
646855d

What's Changed

Full Changelog: 0.3.10...0.3.11

soft rdkit import

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@pstjohn pstjohn released this 21 Apr 13:57
82064e6

What's Changed

Full Changelog: 0.3.9...0.3.10

Hook for ray tensorflow import

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@pstjohn pstjohn released this 11 Mar 01:25
93d1710

Minor fix for compatibility with ray and rllib

Quick fix for loading previous version json files

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@pstjohn pstjohn released this 25 Jan 20:30
e19d476

Full Changelog: 0.3.7...0.3.8

Padding fixes for connectivity

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@pstjohn pstjohn released this 31 Oct 14:01
0aad7ef

What's Changed

  • A few fixes for rlmolecule and the redox models by @pstjohn in #14

Full Changelog: 0.3.5...0.3.6

Minor bugfix

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@pstjohn pstjohn released this 19 Oct 18:31
545596e

quick edits for handling graphs without edges

New preprocessor inheritance model

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@pstjohn pstjohn released this 19 Oct 16:42
32cbb54

Adds the pymatgen preprocessor, the RBFExpansion layer (Radial Basis Function), and a new inheritance model for preprocessor classes that leverages networkx.

What's Changed

Full Changelog: 0.3.3...0.3.4

Additional support for tfrecords, reverting graph_layers

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@pstjohn pstjohn released this 17 Sep 01:05
0.3.3

reverting graph_layers