diff --git a/.bumpversion.cfg b/.bumpversion.cfg
deleted file mode 100644
index 49f319a..0000000
--- a/.bumpversion.cfg
+++ /dev/null
@@ -1,13 +0,0 @@
-[bumpversion]
-current_version = 1.0.4
-commit = True
-tag = True
-
-[bumpversion:file:setup.py]
-
-[bumpversion:file:pubchempy.py]
-
-[bumpversion:file:docs/source/guide/install.rst]
-
-[bumpversion:file:docs/source/conf.py]
-
diff --git a/CITATION.cff b/CITATION.cff
new file mode 100644
index 0000000..878df62
--- /dev/null
+++ b/CITATION.cff
@@ -0,0 +1,38 @@
+cff-version: 1.2.0
+message: "If you use this software in your work, please cite it using the following metadata."
+title: "PubChemPy"
+type: software
+authors:
+  - family-names: "Swain"
+    given-names: "Matthew"
+    orcid: "https://orcid.org/0000-0001-6428-5189"
+version: 1.0.4
+doi: "10.5281/zenodo.541438"
+date-released: "2017-04-11"
+repository-code: "https://github.com/mcs07/PubChemPy"
+url: "https://pubchempy.org"
+repository-artifact: "https://pypi.org/project/PubChemPy/"
+license: "MIT"
+license-url: "https://spdx.org/licenses/MIT.html"
+identifiers:
+  - type: doi
+    description: Fixed concept DOI for all versions
+    value: "10.5281/zenodo.593126"
+abstract: Python package for interacting with the PubChem database via the PUG REST API service.
+keywords:
+  - cheminformatics
+  - chemistry
+  - API
+  - python
+  - pubchem
+preferred-citation:
+  type: software
+  title: "PubChemPy"
+  authors:
+    - family-names: "Swain"
+      given-names: "Matthew"
+      orcid: "https://orcid.org/0000-0001-6428-5189"
+  version: 1.0.4
+  date-released: "2017-04-11"
+  doi: "10.5281/zenodo.541438"
+  url: "https://pubchempy.org"
diff --git a/README.md b/README.md
index 9e9b088..7db0c0d 100644
--- a/README.md
+++ b/README.md
@@ -42,7 +42,7 @@ CC(=O)OC1=CC=CC=C1C(=O)O
 
 ## Documentation
 
-Full documentation is available at https://docs.pubchempy.org.
+Full documentation is available at <https://docs.pubchempy.org>.
 
 This includes a [step-by-step guide on how to use PubChemPy](https://docs.pubchempy.org/en/latest/guide/gettingstarted.html), as well as a [complete API reference](https://docs.pubchempy.org/en/latest/api.html).
 
diff --git a/codemeta.json b/codemeta.json
new file mode 100644
index 0000000..6534214
--- /dev/null
+++ b/codemeta.json
@@ -0,0 +1,39 @@
+{
+    "@context": "https://w3id.org/codemeta/3.0",
+    "type": "SoftwareSourceCode",
+    "applicationCategory": "http://edamontology.org/topic_2258",
+    "author": [
+        {
+            "id": "https://orcid.org/0000-0001-6428-5189",
+            "type": "Person",
+            "email": "m.swain@me.com",
+            "familyName": "Swain",
+            "givenName": "Matthew"
+        }
+    ],
+    "codeRepository": "https://github.com/mcs07/PubChemPy",
+    "dateCreated": "2013-01-05",
+    "dateModified": "2017-04-11",
+    "datePublished": "2014-01-06",
+    "description": "Python package for interacting with the PubChem database via the PUG REST API service.",
+    "identifier": "https://doi.org/10.5281/zenodo.541438",
+    "keywords": [
+        "cheminformatics",
+        "chemistry",
+        "API",
+        "python",
+        "pubchem"
+    ],
+    "license": "https://spdx.org/licenses/MIT",
+    "name": "PubChemPy",
+    "programmingLanguage": "Python",
+    "softwareVersion": "1.0.4",
+    "continuousIntegration": "https://github.com/mcs07/PubChemPy/actions",
+    "readme": "https://github.com/mcs07/PubChemPy/blob/main/README.md",
+    "url": "https://docs.pubchempy.org",
+    "issueTracker": "https://github.com/mcs07/PubChemPy/issues",
+    "relatedLink": [
+        "https://pypi.org/project/PubChemPy/",
+        "https://docs.pubchempy.org"
+    ]
+}