KnathanM

PhD candidate in the Green group at MIT

Boston, MA

Pinned Repositories

descriptastorus
Descriptor computation(chemistry) and (optional) storage for machine learning
Language:Python222 11 2164
chemprop
Message Passing Neural Networks for Molecule Property Prediction
Language:Python1.7k 37 524570
astartes
Better Data Splits for Machine Learning
Language:Python54 3 652
ai-science-training-series
For the 2024 Argonne Leadership Computing Facility AI Training
Language:Jupyter Notebook00
C51_GeoDiff
C51 Class project
Language:Python00
chemprop
Message Passing Neural Networks for Molecule Property Prediction
Language:Python00
KnathanM
00
RMG-database
The database of chemical parameters used with Reaction Mechanism Generator
Language:Python00
RMG-Py
Python version of the amazing Reaction Mechanism Generator (RMG).
Language:Python00
RMG-Py
Python version of the amazing Reaction Mechanism Generator (RMG).
Language:Python383 49 1.2k226

KnathanM's Repositories

KnathanM/ai-science-training-series
For the 2024 Argonne Leadership Computing Facility AI Training
Language:Jupyter Notebook00
KnathanM/C51_GeoDiff
C51 Class project
Language:Python00
KnathanM/chemprop
Message Passing Neural Networks for Molecule Property Prediction
Language:Python00
KnathanM/KnathanM
00
KnathanM/RMG-database
The database of chemical parameters used with Reaction Mechanism Generator
Language:Python00
KnathanM/RMG-Py
Python version of the amazing Reaction Mechanism Generator (RMG).
Language:Python00