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NumQM_Basic
A mini-course offered to Undergrad physics studentsComp_PhysChem_Basic
A mini-course offered to Undergrad chemistry studentsNumericalMethodsOld
Contains Jupyter notebooks and other materials prepared for the course Numerical Methods offered at TIFR Hyderabad (https://moldis-group.github.io/teaching.html)qm9pack
A Python package for data-mining the QM9 datasetPyLifeS
A graduate-level elective course: Python Programming for Life Science StudentsDataScience
Contains Jupyter notebooks and other materials prepared for the course Introduction to Data Science offered at TIFR Hyderabad (https://moldis-group.github.io/teaching.html)QuantumMechanics
DataScience2023
Contains Jupyter notebooks and other materials prepared for the course Introduction to Data ScienceNM2024
Material for the course: Numerical Methods, 2024ExcitedStatesQM8
Electronic spectra of 21786 QM8 moleculesNumericalMethods_test
Content of the course Numerical Methods offered by Dr. Raghunathan Ramakrishnan at TIFR Hyderabad.OrcaNotes
Sample inputs and notes for the quantum chemistry program OrcaLove Open Source and this site? Check out how you can help us