Explore projects
-
A framework for Quantum Chemistry to create input files from a template and automatically submit them at once.
Updated -
Updated
-
-
delisle / spleaf
European Union Public License 1.2Updated -
SciCoS / slurmer
GNU General Public License v3.0 or laterUpdated -
delisle / kepmodel
European Union Public License 1.2Updated -
Updated
-
-
GENEAP / GENEAP
MIT LicenseUpdated -
Paruch Group / Hystorian
Creative Commons Attribution 4.0 InternationalUpdated -
DLCM / UI / DLCM-Portal
GNU General Public License v2.0 or laterRepository for DLCM user portal
Updated -
hedera / hedera Backend
GNU General Public License v2.0 or laterRepository to store hedera Module backends
Updated -
yana.help / frontend
MIT LicenseArchived 1Updated -
pma / chemo_sanitizer
GNU General Public License v3.0 onlyA set of script using RDKit and MolVS to proceed to the standardization , sanitization and different format conversion. Parallelized.
Updated -
pma / pybatchclassyfire
MIT LicenseSet of scripts and notebook to proceed to the batch classification of structures (InChI, SMILES or InChIKey) against ClassyFire framework.
Updated -
OCT_CUI / helloworld-ts
MIT LicenseUpdated -
Updated
-
Julien Boccard / NetPCA
GNU General Public License v3.0 or laterNetwork principal component analysis developed by Santiago Codesido Sanchez
Updated -
hedera / hedera Portal
GNU General Public License v2.0 or laterRepository for hedera user portal
Updated -