nmaeder

PhD student @ rinikerlab

Pinned Repositories

Books-2
Best selection of my books, common to all.
00
Books-3
00
DASH-tree
Partial Charge assignment for Molecular Dynamics
Language:Python0 0 00
knime-lwreg
KNIME nodes for working with lwreg
00
lightweight-registration
Language:Jupyter Notebook0 0 00
rdkit
The official sources for the RDKit library
Language:HTML1 0 00
UmbrellaPipeline
Language:Python2 2 00
openff-toolkit
The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io
Language:Python313 37 89792
rdkit
The official sources for the RDKit library
Language:HTML2.6k 81 3.3k880
lightweight-registration
Language:Jupyter Notebook61 6 1814

nmaeder's Repositories

nmaeder/UmbrellaPipeline
Language:Python2 2 00
nmaeder/rdkit
The official sources for the RDKit library
Language:HTML1 0 00
nmaeder/Books-2
Best selection of my books, common to all.
00
nmaeder/Books-3
00
nmaeder/DASH-tree
Partial Charge assignment for Molecular Dynamics
Language:Python0 0 00
nmaeder/knime-lwreg
KNIME nodes for working with lwreg
00
nmaeder/lightweight-registration
Language:Jupyter Notebook0 0 00