Loading deepchem/models/layers.py +1 −1 Original line number Diff line number Diff line Loading @@ -1304,7 +1304,7 @@ class AtomicConvolution(tf.keras.layers.Layer): Coordinates/features distance tensor. """ flat_neighbors = tf.reshape(Nbrs, [-1, N * M]) neighbor_coords = tf.gather(X, flat_neighbors, batch_dims=-1) neighbor_coords = tf.gather(X, flat_neighbors, batch_dims=-1, axis=1) neighbor_coords = tf.reshape(neighbor_coords, [-1, N, M, d]) D = neighbor_coords - tf.expand_dims(X, 2) if boxsize is not None: Loading Loading
deepchem/models/layers.py +1 −1 Original line number Diff line number Diff line Loading @@ -1304,7 +1304,7 @@ class AtomicConvolution(tf.keras.layers.Layer): Coordinates/features distance tensor. """ flat_neighbors = tf.reshape(Nbrs, [-1, N * M]) neighbor_coords = tf.gather(X, flat_neighbors, batch_dims=-1) neighbor_coords = tf.gather(X, flat_neighbors, batch_dims=-1, axis=1) neighbor_coords = tf.reshape(neighbor_coords, [-1, N, M, d]) D = neighbor_coords - tf.expand_dims(X, 2) if boxsize is not None: Loading
