Sharing datasets with collaborators¶
Once you have converted your data in the format used by chemiscope, you might want to share it with collaborators. There are multiple ways to do this, we’ll go over them in this section.
Online visualizer at chemiscope.org¶
The simplest way to share chemiscope dataset is to send the corresponding file
my-dataset.json.gz) to your collaborators.
They can then load this file from the main chemiscope website: https://chemiscope.org/. Here they can use the Load/Save menu to upload the dataset to the website.
Loading from an URL¶
You can also host your dataset in any publicly accessible web server such as
your home page. Given a file hosted at
https://university.edu/~myself/dataset.json, you can then load this file
directly in chemiscope by going to
This allow you to create links to directly open a given dataset in the main
chemiscope website, loading such dataset from your own webpage.
In general, you can set the
load GET parameter on
to any url-encoded URL, and chemiscope will try to load the dataset from this
Saving visualization state¶
You can save the current visualization settings from the website using the Load/Save menu. This will allow you to download a JSON file, which you can use later to reset visualization state.
If you are loading a file from an URL by creating a link that looks like
https://chemiscope.org/?load=https://university.edu/dataset.json.gz, you can
settings GET parameter to specify the URL of saved settings:
Standalone offline visualizer¶
There are some cases where you do not want to depend on an online tool when
sharing your dataset, such as scientific article supplementation information.
For these use cases, a standalone, offline visualizer exists that uses the same
input file format as the default interface. You can download the latest version
of the standalone viewer at
can then add your own dataset by adding the corresponding JSON file at the end
WARNING: Only JSON, not compressed JSON (
.json.gz) files are supported
with the standalone HTML visualizer.
cat chemiscope_standalone.html my-dataset.json > my-dataset.html
You can then share the
my-dataset.html file with others, who can open it in
any web browser.
To re-build the
chemiscope_standalone.html file from sources, please follow
the steps below:
git clone https://github.com/lab-cosmo/chemiscope cd chemiscope npm install npm run build python3 ./utils/generate_standalone.py