Pinned Repositories
pna
Implementation of Principal Neighbourhood Aggregation for Graph Neural Networks in PyTorch, DGL and PyTorch Geometric
Practical_RL
A course in reinforcement learning in the wild
Uni-GBSA
An automatic workflow to perform MM/GB(PB)SA calculations from force field building, and structure optimization to free energy calculation.
eereenah-fast's Repositories
eereenah-fast/Uni-GBSA
An automatic workflow to perform MM/GB(PB)SA calculations from force field building, and structure optimization to free energy calculation.
eereenah-fast/pna
Implementation of Principal Neighbourhood Aggregation for Graph Neural Networks in PyTorch, DGL and PyTorch Geometric
eereenah-fast/Practical_RL
A course in reinforcement learning in the wild