Ian Dunn

icon indicating a website link iandunn.io icon indicating an email [email protected]

icon location PIttsburgh, PA icon location PhD Candidate in Computational Biology. Geometric deep learning for structure-based drug design. Deep generative models.

Results 2 issues of Ian Dunn

Fix for #67: dont use inversion operator to get mask in hydrogen filtering

Fixes #67

Bug in hydrogen filtering during distance geometry module

Hi there! I found a small bug that causes the `PoseBusters.bust` function to break; I think its an edge case that occurs if you have odd (e.g., de novo designed)...