Generate the bounds matrix from the rdkit Mol and alter it to find the TS
Generate the bounds matrix from the rdkit Mol and alter it to find the TS
KEHANG/RMG-Py,pierrelb/RMG-Py,nyee/RMG-Py,chatelak/RMG-Py,enochd/RMG-Py,chatelak/RMG-Py,enochd/RMG-Py,nyee/RMG-Py,KEHANG/RMG-Py,comocheng/RMG-Py,nickvandewiele/RMG-Py,faribas/RMG-Py,comocheng/RMG-Py,nickvandewiele/RMG-Py,faribas/RMG-Py,pierrelb/RMG-Py