mindsponge.common

API Name

Description

Supported Platforms

mindsponge.common.find_optimal_renaming

Find optimal renaming for ground truth that maximizes LDDT.

Ascend GPU

mindsponge.common.get_aligned_seq

Align two protein fasta sequence.

Ascend GPU

mindsponge.common.get_fasta_info

Put in a pdb file and get fasta information from it.

Ascend GPU

mindsponge.common.get_pdb_info

get atom positions, residue index etc.

Ascend GPU

mindsponge.common.make_atom14_positions

The function of transforming sparse encoding method to densely encoding method.

Ascend GPU

mindsponge.common.geometry

API Name

Description

Supported Platforms

mindsponge.common.apply_to_point

Rotate and translate the input coordinates.

Ascend GPU

mindsponge.common.initial_affine

Initialize quaternion, rotation, translation of affine.

Ascend GPU

mindsponge.common.invert_point

The inverse transformation of a rigid body group transformation with respect to a point coordinate, that is, the inverse transformation of apply to point Make rotational translation changes on coordinates with the transpose of the rotation matrix \((xx, xy, xz, yx, yy, yz, zx, zy, zz)\) and the translation vector \((x, y, z)\) translation.

Ascend GPU

mindsponge.common.invert_rigids

Computes group inverse of rigid transformations.

Ascend GPU

mindsponge.common.invert_rots

Computes inverse of rotations \(m\).

Ascend GPU

mindsponge.common.make_transform_from_reference

Using GramSchmidt process to construct rotation and translation from given points.

Ascend GPU

mindsponge.common.pre_compose

Return a new QuatAffine which applies the transformation update first.

Ascend GPU

mindsponge.common.quat_affine

Create quat affine representations based on rots and trans.

Ascend GPU

mindsponge.common.quat_multiply_by_vec

Multiply a quaternion by a pure-vector quaternion.

Ascend GPU

mindsponge.common.quat_to_rot

Convert a normalized quaternion to a rotation matrix.

Ascend GPU

mindsponge.common.quaternion_from_tensor

Take the input 'tensor' \([(xx, xy, xz, yx, yy, yz, zz)]\) to get the new 'quaternion', 'rotation', 'translation'.

Ascend GPU

mindsponge.common.quaternion_to_tensor

Change quaternion to tensor.

Ascend GPU

mindsponge.common.rigids_from_3_points

Gram-Schmidt process.

Ascend GPU

mindsponge.common.rigids_mul_rigids

Change rigid \(b\) from its local coordinate system to rigid \(a\) local coordinate system, using rigid rotations and translations.

Ascend GPU

mindsponge.common.rigids_mul_rots

Numpy version of getting results rigid \(x\) multiply rotations \(\vec y\) .

Ascend GPU

mindsponge.common.rigids_mul_vecs

Transform vector \(\vec v\) to rigid' local coordinate system.

Ascend GPU

mindsponge.common.rots_expand_dims

Adds an additional dimension to rots at the given axis.

Ascend GPU

mindsponge.common.rots_from_tensor

Amortize and split the 3*3 rotation matrix corresponding to the last two axes of input Tensor to obtain each component of the rotation matrix, inverse of 'rots_to_tensor'.

Ascend GPU

mindsponge.common.rots_from_two_vecs

Put in two vectors \(\vec a = (a_x, a_y, a_z)\) and \(\vec b = (b_x, b_y, b_z)\).

Ascend GPU

mindsponge.common.rots_mul_rots

Get result of rotation matrix x multiply rotation matrix y.

Ascend GPU

mindsponge.common.rots_mul_vecs

Apply rotations \(\vec m = (m_0, m_1, m_2, m_3, m_4, m_5, m_6, m_7, m_8)\) to vectors \(\vec v = (v_0, v_1, v_2)\).

Ascend GPU

mindsponge.common.rots_scale

Scaling of rotation matrixs.

Ascend GPU CPU

mindsponge.common.rots_to_tensor

Translate rots represented by vectors to tensor, inverse of 'rots_from_tensor'.

Ascend GPU

mindsponge.common.vecs_cross_vecs

Cross product of vectors \(v_1 = (x_1, x_2, x_3)\) and \(v_2 = (y_1, y_2, y_3)\).

Ascend GPU

mindsponge.common.vecs_dot_vecs

Dot product of vectors \(v_1 = (x_1, x_2, x_3)\) and \(v_2 = (y_1, y_2, y_3)\).

Ascend GPU

mindsponge.common.vecs_expand_dims

Add an extra dimension to the input v at the given axis.

Ascend GPU

mindsponge.common.vecs_from_tensor

Get vectors from the last axis of input tensor.

Ascend GPU

mindsponge.common.vecs_robust_norm

Calculate the l2-norm of a vector.

Ascend GPU CPU

mindsponge.common.vecs_robust_normalize

Use l2-norm normalization vectors

Ascend GPU CPU

mindsponge.common.vecs_scale

Scale the vector.

Ascend GPU CPU

mindsponge.common.vecs_sub

Subtract two vectors.

Ascend GPU CPU

mindsponge.common.vecs_to_tensor

Converts 'v' to tensor with last dim shape 3, inverse of 'vecs_from_tensor'.

Ascend GPU