Pinned Loading

1. Monte Carlo Barostat + Langevin Inte... Monte Carlo Barostat + Langevin Integrator for the Atomic Simulation Environment (ASE)

   1

   """ Monte Carlo Barostat + Langevin Integrator

   2

   Based on:

   3

   4

   OpenMM implementation

   5

   https://github.com/openmm/openmm/blob/master/openmmapi/src/MonteCarloBarostatImpl.cpp

2. Positional Periodic Table Embedding Positional Periodic Table Embedding

   1

   import torch

   2

   from torch import nn

   3

   4

   class ptableEmbedding(nn.Module):

   5

       def __init__(self, n_features=32):

3. FRACTRAN FRACTRAN Public

   A FRACTRAN interpreter written in Python

   Python 7