doc: update README/Citation (close #7) (#220)

GT4SD · May 23, 2023 · af2bb87 · af2bb87
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diff --git a/CITATION.cff b/CITATION.cff
@@ -4,7 +4,67 @@ authors:
   - family-names: Team
     given-names: GT4SD
 title: "GT4SD (Generative Toolkit for Scientific Discovery)"
-version: 0.40.0
+version: 1.3.1
 url: "https://github.com/GT4SD/gt4sd-core"
 doi: "10.5281/zenodo.6673577"
 date-released: 2022-02-11
+license:
+  - name: MIT License
+    url: https://opensource.org/licenses/MIT
+references:
+  - title: Accelerating material design with the generative toolkit for scientific discovery
+    authors:
+      - family-names: Manica
+        given-names: Matteo
+      - family-names: Born
+        given-names: Jannis
+      - family-names: Cadow
+        given-names: Joris
+      - family-names: Christofidellis
+        given-names: Dimitrios
+      - family-names: Dave
+        given-names: Ashish
+      - family-names: Clarke
+        given-names: Dean
+      - family-names: Teukam
+        given-names: Yves Gaetan Nana
+      - family-names: Giannone
+        given-names: Giorgio
+      - family-names: Hoffman
+        given-names: Samuel C
+      - family-names: Buchan
+        given-names: Matthew
+      - family-names: Chenthamarakshan
+        given-names: Vijil
+      - family-names: Donovan
+        given-names: Timothy
+      - family-names: Hsu
+        given-names: Hsiang Han
+      - family-names: Zipoli
+        given-names: Federico
+      - family-names: Schilter
+        given-names: Oliver
+      - family-names: Kishimoto
+        given-names: Akihiro
+      - family-names: Hamada
+        given-names: Lisa
+      - family-names: Padhi
+        given-names: Inkit
+      - family-names: Wehden
+        given-names: Karl
+      - family-names: McHugh
+        given-names: Lauren
+      - family-names: Khrabrov
+        given-names: Alexy
+      - family-names: Das
+        given-names: Payel
+      - family-names: Takeda
+        given-names: Seiji
+      - family-names: Smith
+        given-names: John R.
+    journal: npj Computational Materials
+    volume: 9
+    number: 1
+    pages: 69
+    year: 2023
+    publisher: Nature Publishing Group
diff --git a/README.md b/README.md
@@ -11,6 +11,7 @@
 [![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/GT4SD/gt4sd-core/main)
 [![DOI](https://zenodo.org/badge/458309249.svg)](https://zenodo.org/badge/latestdoi/458309249)
 [![2022 IEEE Open Software Services Award](https://img.shields.io/badge/Award-2022%20IEEE%20Open%20Software%20Services%20Award-yellow)](https://conferences.computer.org/services/2022/awards/oss_award.html)
+[![Paper DOI: 10.1038/s41524-023-01028-1](https://zenodo.org/badge/DOI/10.1038/s41524-023-01028-1.svg)](https://www.nature.com/articles/s41524-023-01028-1)
 
 <img src="./docs/_static/gt4sd_graphical_abstract.png" alt="logo" width="800">
 
@@ -359,19 +360,21 @@ Beyond implementing various generative modeling inference and training pipelines
 - [diffusers](https://github.com/huggingface/diffusers): training and inference pipelines for generative models from [Diffusers Models](https://github.com/huggingface/diffusers)
 - [GFlowNets](https://github.com/recursionpharma/gflownet): training and inference pipeline for [Generative Flow Networks](https://yoshuabengio.org/2022/03/05/generative-flow-networks/)
 - [MolGX](https://github.com/GT4SD/molgx-core/): training and inference pipelines to generate small molecules satisfying target properties. The full implementation of MolGX, including additional functionalities, is available [here](https://github.com/GT4SD/molgx-core/).
+- [Regression Transformers](https://github.com/IBM/regression-transformer/): training and inference pipelines to generate small molecules, polymers or peptides based on numerical property constraints. For details [read the paper](https://www.nature.com/articles/s42256-023-00639-z).
+
 
 ## References
 
 If you use `gt4sd` in your projects, please consider citing the following:
 
 ```bib
 @software{GT4SD,
-author = {GT4SD Team},
-month = {2},
-title = {{GT4SD (Generative Toolkit for Scientific Discovery)}},
-url = {https://github.com/GT4SD/gt4sd-core},
-version = {main},
-year = {2022}
+  author = {GT4SD Team},
+  month = {2},
+  title = {{GT4SD (Generative Toolkit for Scientific Discovery)}},
+  url = {https://github.com/GT4SD/gt4sd-core},
+  version = {main},
+  year = {2022}
 }
 
 @article{manica2022gt4sd,