Cookbook entry#6

Open

manangoel99 wants to merge 32 commits intoANI-Integration-Checkfrom

Commits on Aug 16, 2020

Merge branch 'master' of https://github.com/rdkit/rdkit into ANI-ForwardPass
manangoel99
committed
- Removed unnecessary array type casts to make AEV generation faster
manangoel99
committed
Implemented numeric differentiation of predicted energy by perturbing the atom along + and - x, y and axes and finding derivative by first principle
manangoel99
committed

Commits on Aug 20, 2020

Added boost portable binary archive
manangoel99
committed

Commits on Aug 21, 2020

Commits on Aug 22, 2020

Fixed CMake to not generate ANI related functions on windows
manangoel99
committed

Commits on Aug 24, 2020

Commits on Aug 26, 2020

Fix #3365 (#3366)
greglandrum
authored

Commits on Aug 28, 2020