You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
Copy file name to clipboardExpand all lines: pages/program/notebooks.md
+15-20Lines changed: 15 additions & 20 deletions
Display the source diff
Display the rich diff
Original file line number
Diff line number
Diff line change
@@ -17,26 +17,21 @@ Authors of notebooks are expected to upload their notebook to the Zenodo site fo
17
17
18
18
_Alyssa Travitz, Irfan Alibay, Hannah Baumann, David Dotson, James Eastwood, Mike Henry, Josh Horton, Ian Kenney, Iván Pulido, Benjamin Ries, and David Mobley_
19
19
20
-
Alchemical free energy calculations are integral to
21
-
state-of-the-art drug discovery pipelines, yet the need for
22
-
domain expertise and reliance on closed-source software
23
-
remain major barriers to their widespread use. The Open
24
-
Free Energy (OpenFE) project is a pre-competitive
25
-
collaboration between academic and industry partners to
26
-
develop an ecosystem of extensible open-source tools for
27
-
accessible and reproducible free energy calculations.
28
-
OpenFE’s ecosystem includes Python-based tools for network
29
-
planning, atom mapping, defining protocols for relative and
0 commit comments