Barcelona MMSML talk: Teaching free energy calculations to learn

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I was excited to attend the Barcelona MMSML workshop, which brought together a fantastic set of folks to discuss the future of machine learning in molecular simulation.

The slides to my talk, Teaching free energy calculations to learn, are available here: [PDF]

Fourth Alchemical Free Energy Calculations in Drug Design meeting at Vertex

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The fourth Alchemical Free Energy Calculations in Drug Discovery workshop is already underway, held once again at the beautiful Vertex facility in Boston. We're livetweeting the meeting for those who can't make it, and have set up a new Slack team to keep the conversation going after the meeting. There's even a job postings page to keep track of the abundant new jobs in computational chemistry and alchemical free energy calculations in industry and academia this field has created. We're thrilled to see so much activity, how far the field is come, and certainly how far the field has left to go.

Slides from my talk can be found here in PDF format.