MIT AIDM Conference

We are delighted to announce the MIT AI-powered Drug Discovery and Manufacturing Conference, which will take place on February 27th and 28th, 2020 at Massachusetts Institute of Technology, Cambridge, MA. Make sure you register now, space is limited! Please find additional information here: AIDM on LinkedIn We are delighted to announce the MIT AI-powered Drug

Large-Scale Testing of MIT Property Prediction Model

Regina: In our conversation with member companies, we have discovered that all of you are interested in a model for property prediction.  Our model based on graph convolution network is available and ready for you to use.  However, before transitioning it to your organizations, we wanted to test it on a large and varied collection

ML Tutorial is on-line

I uploaded the tutorial on basics of ML that is similar to the one given during the consortium meeting.  It may be useful for people in your company who didn’t attend the meeting at MIT,  but would like to learn the subject matter. Please feel free to post your questions here, and we will reply

Thoughts on Recent Nature Paper

First, let me update you on our news: Our paper on “Junction Tree Variational Autoencode for Molecular Graph Generation” has been accepted to ICML.  This is a paper that looks at novel ways for lead optimization. We are currently working on the final version. If you have any comments/questions, please send our way. On Thursday,

Welcome to MLPDS blog!

To make our collaboration successful, we would like to stay in touch with you. This blog will be our on-line forum for updating you about recent developments, discussing papers in chemistry/ML space, and hearing about your experiences with using our tools.  Feel free to propose topics you would like to have covered. While the MIT