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Paolo Tosco

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News Articles

Flare API: A new playground for computational chemists and developers
Flare 2.0 comes with a full-featured Python API which enables both high-level access to scientific functionality and low-level access to the...
Integrating Jupyter Notebook into Flare
In a recent blog post I have shown the integration of the Jupyter QtConsole in Flare. The Jupyter QtConsole nicely fits in with the rest of the Flare...
Using Python in Flare to find common contacts
In a recent blog post Pat Walters nicely used the structures of Viagra and Cialis when bound to PDE5 to argue that scaffold hopping between these...
Review of 7th RDKit User Group Meeting
In September I attended the RDKit User Group Meeting, which this year was (very conveniently for Cresset) held in Cambridge, UK, kindly hosted...
Python extension enabling Jupyter Notebook integration in Flare released
In a recent post I wrote about Integrating Jupyter Notebook into Flare as a new Python extension dedicated to Python developers and enthusiasts....
Run Cresset calculations in the cloud with Cresset Engine Broker™ and ElastiCluster
In this post I will describe how to instantiate a cluster on Google Cloud (or any other cloud platform supported by ElastiCluster)...
Review of 8th RDKit User Group Meeting
For a few years now the RDKit UGM has been of the great things about September, together with blackberries and Vuelta España, but I admit the latter...

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Flare API: A new playground for computational chemists and developers
Flare 2.0 comes with a full-featured Python API which enables both high-level access to scientific functionality and low-level access to the...
Integrating Jupyter Notebook into Flare
In a recent blog post I have shown the integration of the Jupyter QtConsole in Flare. The Jupyter QtConsole nicely fits in with the rest of the Flare...
Using Python in Flare to find common contacts
In a recent blog post Pat Walters nicely used the structures of Viagra and Cialis when bound to PDE5 to argue that scaffold hopping between these...
Review of 7th RDKit User Group Meeting
In September I attended the RDKit User Group Meeting, which this year was (very conveniently for Cresset) held in Cambridge, UK, kindly hosted...
Python extension enabling Jupyter Notebook integration in Flare released
In a recent post I wrote about Integrating Jupyter Notebook into Flare as a new Python extension dedicated to Python developers and enthusiasts....
Run Cresset calculations in the cloud with Cresset Engine Broker™ and ElastiCluster
In this post I will describe how to instantiate a cluster on Google Cloud (or any other cloud platform supported by ElastiCluster)...
Review of 8th RDKit User Group Meeting
For a few years now the RDKit UGM has been of the great things about September, together with blackberries and Vuelta España, but I admit the latter...