Update CITATION.cff from #354 #357 #360 #401 #445

Author: Irratzo

CITATION.cff

@@ -1,43 +1,22 @@
 # This CITATION.cff file was generated with cffinit.
 # Visit https://bit.ly/cffinit to generate yours today!
+#
+# CFF Schema guide at
+# https://github.com/citation-file-format/citation-file-format/blob/main/schema-guide.md
+#
+# String quoting: Note that in YAML you generally don't need to quote strings. But you should use " quotes when a string value contains whitespace, contains special characters (e.g., any of :{}[],&*#?|-<>=!%, or any of ` and @ at the beginning), consists only of numbers (e.g., is the string "42", not the number 42), or is "true", "false", "yes" or "no".
+#
+# Personal opinion: No, you don't need to quote a string if it contains whitespace.
+#
+# More on CFF
+# https://book.the-turing-way.org/communication/citable/citable-cff
 
 cff-version: 1.2.0
 title: Best of Atomistic Machine Learning
 message: >-
   If you use this dataset, please cite it using the metadata
   from this file.
 type: dataset
-authors:
-  - given-names: Johannes
-    family-names: Wasmer
-    email: [email protected]
-    affiliation: Forschungszentrum Jülich
-    orcid: "https://orcid.org/0000-0001-5113-3119"
-    website: "https://github.com/Irratzo"
-  - given-names: Matthew
-    name-particle: L
-    family-names: Evans
-    email: [email protected]
-    affiliation: Université Catholique de Louvain
-    orcid: "https://orcid.org/0000-0002-1182-9098"
-    website: "https://github.com/ml-evs"
-  - given-names: Ben
-    family-names: Blaiszik
-    affiliation: University of Chicago
-    orcid: "https://orcid.org/0000-0002-5326-4902"
-    email: [email protected]
-    website: "https://github.com/blaiszik"
-  - given-names: Janosh
-    family-names: Riebesell
-    email: [email protected]
-    affiliation: University of Cambridge
-    website: "https://github.com/janosh"
-  - given-names: Fabian
-    family-names: Zills
-    affiliation: University of Stuttgart
-    orcid: "https://orcid.org/0000-0002-6936-4692"
-    email: [email protected]
-    website: "https://github.com/PythonFZ"
 identifiers:
   - type: doi
     value: 10.5281/zenodo.10430261
@@ -53,15 +32,15 @@ abstract: >-
   projects.
 keywords:
   - ai4science
-  - "atomistic-machine-learning"
+  - atomistic-machine-learning
   - scientific-machine-learning
   - community-resource
   - living-document
   - best-of-list
-  - "awesome-list"
+  - awesome-list
   - molecular-dynamics
   - density-functional-theory
-  - "computational-materials-science"
+  - computational-materials-science
   - computational-chemistry
   - quantum-chemistry
   - materials-discovery
@@ -73,3 +52,66 @@ keywords:
   - materials-datasets
   - chemistry-datasets
 license: CC-BY-SA-4.0
+authors:
+  - given-names: Johannes
+    family-names: Wasmer
+    email: [email protected]
+    affiliation: Forschungszentrum Jülich
+    orcid: "https://orcid.org/0000-0001-5113-3119"
+    website: "https://github.com/Irratzo"
+  - given-names: Matthew
+    name-particle: L
+    family-names: Evans
+    email: [email protected]
+    affiliation: Université Catholique de Louvain
+    orcid: "https://orcid.org/0000-0002-1182-9098"
+    website: "https://github.com/ml-evs"
+  - given-names: Ben
+    family-names: Blaiszik
+    affiliation: University of Chicago
+    orcid: "https://orcid.org/0000-0002-5326-4902"
+    email: [email protected]
+    website: "https://github.com/blaiszik"
+  - given-names: Janosh
+    family-names: Riebesell
+    email: [email protected]
+    affiliation: University of Cambridge
+    website: "https://github.com/janosh"
+  - given-names: Fabian
+    family-names: Zills
+    affiliation: University of Stuttgart
+    orcid: "https://orcid.org/0000-0002-6936-4692"
+    email: [email protected]
+    website: "https://github.com/PythonFZ"
+  - given-names: Pavlo
+    name-particle: O
+    family-names: Dral
+    affiliation: Xiamen University
+    orcid: "https://orcid.org/0000-0002-2975-9876"
+    email: [email protected]
+    website: "https://dr-dral.com"
+  - given-names: Kamal
+    family-names: Choudhary
+    affiliation: National Institute of Standards and Technology (NIST)
+    orcid: "https://orcid.org/0000-0001-9737-8074"
+    email: [email protected]
+    website: "https://github.com/knc6"
+  - given-names: Andrew
+    name-particle: S
+    family-names: Rosen
+    affiliation: Princeton University
+    orcid: "https://orcid.org/0000-0002-0141-7006"
+    email: [email protected]
+    website: "https://cbe.princeton.edu/people/andrew-rosen"
+  - given-names: Luis Itza
+    family-names: Vazquez-Salazar
+    affiliation: Heidelberg University
+    orcid: "https://orcid.org/0000-0001-6347-5108"
+    email: [email protected]
+    website: "https://livazquezs.github.io/"
+  - given-names: Orion Archer
+    family-names: Cohen
+    affiliation: Lawrence Berkeley National Laboratory
+    orcid: "https://orcid.org/0000-0003-3940-2456"
+    email: [email protected]
+    website: "https://orioncohen.com"