aditya1707

Pinned Repositories

geometry_analysis
Language:Python00
geometry_analysis-1
A sample package for the MolSSI software summer school
Language:Python00
ML_StarterKit_CHE596
End-to-end ML workflow based on the talk I gave in CHE596.
Language:Jupyter Notebook11 1 00
neural-fingerprint
Convolutional nets which can take molecular graphs of arbitrary size as input.
Language:TeX00
NFP_pytorch
Pytorch implementation of neural fingerprints
Language:Jupyter Notebook00
parallel-programming
Language:Python00
ptable_trends
Python script to plot periodic trends as a heat map over the periodic table of elements
Language:Python00
pydata-seattle
Repository for Anomaly Detection for PyData Seattle 2023
Language:Jupyter Notebook00
qm_2019_sss_3
Language:Python00
chemml
ChemML is a machine learning and informatics program suite for the chemical and materials sciences.
Language:Python160 14 1129

aditya1707's Repositories

aditya1707/ML_StarterKit_CHE596
End-to-end ML workflow based on the talk I gave in CHE596.
Language:Jupyter Notebook11 1 00
aditya1707/geometry_analysis
Language:Python00
aditya1707/geometry_analysis-1
A sample package for the MolSSI software summer school
Language:Python00
aditya1707/neural-fingerprint
Convolutional nets which can take molecular graphs of arbitrary size as input.
Language:TeX00
aditya1707/NFP_pytorch
Pytorch implementation of neural fingerprints
Language:Jupyter Notebook00
aditya1707/parallel-programming
Language:Python00
aditya1707/ptable_trends
Python script to plot periodic trends as a heat map over the periodic table of elements
Language:Python00
aditya1707/pydata-seattle
Repository for Anomaly Detection for PyData Seattle 2023
Language:Jupyter Notebook00
aditya1707/qm_2019_sss_3
Language:Python00
aditya1707/temperature_cpp
Language:Python
aditya1707/vizzu-workshops
Repo for Vizzu workshop materials.