From 3033070a2d5bad2b6227dc4e168ba852cef5d31e Mon Sep 17 00:00:00 2001 From: FNTwin Date: Fri, 30 Aug 2024 13:05:44 -0400 Subject: [PATCH] Docs for the new datasets --- docs/API/datasets/3bpa.md | 1 + docs/API/datasets/maceoff.md | 1 + mkdocs.yml | 2 ++ 3 files changed, 4 insertions(+) create mode 100644 docs/API/datasets/3bpa.md create mode 100644 docs/API/datasets/maceoff.md diff --git a/docs/API/datasets/3bpa.md b/docs/API/datasets/3bpa.md new file mode 100644 index 0000000..315c62f --- /dev/null +++ b/docs/API/datasets/3bpa.md @@ -0,0 +1 @@ +::: openqdc.datasets.potential.bpa diff --git a/docs/API/datasets/maceoff.md b/docs/API/datasets/maceoff.md new file mode 100644 index 0000000..4fe9aef --- /dev/null +++ b/docs/API/datasets/maceoff.md @@ -0,0 +1 @@ +::: openqdc.datasets.potential.maceoff diff --git a/mkdocs.yml b/mkdocs.yml index 460f778..d15911e 100644 --- a/mkdocs.yml +++ b/mkdocs.yml @@ -33,9 +33,11 @@ nav: - Format loading: API/formats.md - Datasets: - Potential Energy: + - 3BPA: API/datasets/3bpa.md - Alchemy : API/datasets/alchemy.md - ANI : API/datasets/ani.md - Spice : API/datasets/spice.md + - MaceOFF: API/datasets/maceoff.md - GEOM : API/datasets/geom.md - Qmugs : API/datasets/qmugs.md - ISO_17 : API/datasets/iso_17.md