Functions — github.com/atomicarchitects/equiformer

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Functions244 in github.com/atomicarchitects/equiformer_v2

⨍ Functions 244◇ Types & classes 55

↓ 1 callersMethodset_wigner

(self, rot_mat3x3)

nets/equiformer_v2/so3.py:435

↓ 1 callersMethodto_grid

(self, embedding, lmax, mmax)

nets/equiformer_v2/so3.py:568

↓ 1 callersFunctionwigner_D

(l, alpha, beta, gamma)

nets/equiformer_v2/wigner.py:16

oc20/trainer/lr_scheduler.py:45

Method__call__

(self, current_step)

oc20/trainer/lr_scheduler.py:79

oc20/trainer/logger.py:55

Method__getitem__

(self, idx)

oc20/trainer/lmdb_dataset.py:95

(self, is_master=False, is_rank0=False, output_dir=None, logger_name='training')

(self, config, transform=None)

oc20/trainer/lmdb_dataset.py:143

Method__init__

(self, config, transform=None)

oc20/trainer/lmdb_dataset.py:153

Method__init__

( self, task, model, dataset, optimizer, identifier, n

oc20/trainer/forces_trainer_v2.py:73

Method__init__

( self, task, model, dataset, optimizer, identifier, n

oc20/trainer/energy_trainer_v2.py:72

Method__init__

( self, task, model, dataset, optimizer, identifier, n

oc20/trainer/base_trainer_v2.py:137

Method__init__

(self, is_master=False, is_rank0=False, output_dir=None, logger_name='training')

oc20/trainer/logger.py:5

Method__init__

(self, scheduler_params)

oc20/trainer/lr_scheduler.py:38

Method__init__

(self, scheduler_params)

oc20/trainer/lr_scheduler.py:72

Method__init__

(self, optimizer, config)

oc20/trainer/lr_scheduler.py:119

Method__init__

( self, task, model, dataset, optimizer, identifier, n

oc20/trainer/base_trainer_oc20.py:58

Method__init__

(self)

oc20/trainer/engine.py:14

Method__init__

(self, drop_prob=None)

nets/equiformer_v2/drop.py:49

Method__init__

(self, irreps, drop_prob)

nets/equiformer_v2/drop.py:69

Method__init__

(self, irreps, drop_prob)

nets/equiformer_v2/drop.py:90

Method__init__

(self, drop_prob, drop_graph=False)

nets/equiformer_v2/drop.py:116

Method__init__

( self, num_atoms, # not used bond_feat_dim, # not used num_targets,

nets/equiformer_v2/equiformer_v2_oc20.py:106

Method__init__

( self, m, sphere_channels, m_output_channels, lmax_list,

nets/equiformer_v2/so2_ops.py:22

Method__init__

( self, sphere_channels, m_output_channels, lmax_list, mmax_list,

nets/equiformer_v2/so2_ops.py:78

Method__init__

(self, num_basis, cutoff)

nets/equiformer_v2/gaussian_rbf.py:13

Method__init__

( self, lmax_list, mmax_list, )

nets/equiformer_v2/so3.py:38

Method__init__

( self, length, lmax_list, num_channels, device, dtype, )

nets/equiformer_v2/so3.py:198

Method__init__

( self, lmax, )

nets/equiformer_v2/so3.py:426

Method__init__

(self, in_features, out_features, lmax, bias=True)

nets/equiformer_v2/so3.py:582

Method__init__

1. Use `torch.einsum` to prevent slicing and concatenation 2. Need to specify some behaviors in `no_weight_decay` and weight

nets/equiformer_v2/so3.py:626

Method__init__

(self, info_str, modules=None)

nets/equiformer_v2/module_list.py:5

Method__init__

( self, sphere_channels, lmax_list, mmax_list,

nets/equiformer_v2/input_block.py:29

Method__init__

( self, sphere_channels, hidden_channels, num_heads, attn_alpha_chann

nets/equiformer_v2/transformer_block.py:75

Method__init__

( self, sphere_channels, hidden_channels, output_channels, lmax_list,

nets/equiformer_v2/transformer_block.py:357

Method__init__

(self, lmax, num_channels, eps=1e-5, affine=True, normalization='component', std_balance_degrees=True)

nets/equiformer_v2/layer_norm.py:115

Method__init__

(self, lmax, num_channels, eps=1e-5, affine=True, normalization='component')

nets/equiformer_v2/layer_norm.py:205

Method__init__

(self, lmax, num_channels, eps=1e-5, affine=True, normalization='component', centering=True, std_balance_degre

nets/equiformer_v2/layer_norm.py:267

Method__init__

(self, lmax, num_channels, scale_factor=2.0)

nets/equiformer_v2/layer_norm.py:356

Method__init__

(self, channels_list)

nets/equiformer_v2/radial_function.py:9

Method__init__

(self, inplace=False)

nets/equiformer_v2/activation.py:9

Method__init__

(self, in_channels, out_channels, bias=True)

nets/equiformer_v2/activation.py:28

Method__init__

(self, negative_slope=0.2)

nets/equiformer_v2/activation.py:65

Method__init__

(self)

nets/equiformer_v2/activation.py:81

Method__init__

(self)

nets/equiformer_v2/activation.py:96

Method__init__

(self, lmax, mmax, num_channels)

nets/equiformer_v2/activation.py:106

Method__init__

(self, lmax, mmax)

nets/equiformer_v2/activation.py:155

Method__init__

(self, lmax, mmax)

nets/equiformer_v2/activation.py:172

Method__len__

(self)

oc20/trainer/lmdb_dataset.py:92

Method__repr__

(self)

nets/equiformer_v2/so3.py:182

Method__repr__

(self)

nets/equiformer_v2/so3.py:621

Method__repr__

(self)

nets/equiformer_v2/so3.py:669

Method__repr__

(self)

nets/equiformer_v2/module_list.py:10

Method__repr__

(self)

nets/equiformer_v2/layer_norm.py:56

Method__repr__

(self)

nets/equiformer_v2/layer_norm.py:148

Method__repr__

(self)

nets/equiformer_v2/layer_norm.py:223

Method__repr__

(self)

nets/equiformer_v2/layer_norm.py:306

Method__repr__

(self)

nets/equiformer_v2/layer_norm.py:370

Method_backward

(self, loss)

oc20/trainer/base_trainer_oc20.py:686

Method_grid_act

(self, SO3_grid, act, mappingReduced)

nets/equiformer_v2/so3.py:343

Method_init_weights

(self, m)

nets/equiformer_v2/equiformer_v2_oc20.py:483

Method_uniform_init_linear_weights

(self, m)

nets/equiformer_v2/equiformer_v2_oc20.py:503

Method_uniform_init_rad_func_linear_weights

(self, m)

nets/equiformer_v2/equiformer_v2_oc20.py:498

Method_unwrapped_model

(self)

oc20/trainer/base_trainer_oc20.py:52

Methodcheckpoint

(self, *args, **kwargs)

main_oc20.py:81

Functioncompute_stats

Compute mean of numbers of nodes and edges

engine.py:144

Functioncompute_stats

Compute mean of numbers of nodes and edges

oc20/trainer/engine.py:144

oc20/trainer/logger.py:40

Functioncosine_lr_lambda

(current_step, scheduler_params)

oc20/trainer/lr_scheduler.py:20

Functioncreate_optimizer

Legacy optimizer factory for backwards compatibility. NOTE: Use create_optimizer_v2 for new code.

optim_factory.py:63

Functiondata_list_collater

(data_list, otf_graph=False)

oc20/trainer/lmdb_dataset.py:162

Functionevaluate

(model, norm_factor, target, data_loader, device, amp_autocast=None, print_freq=100, logger=None)

engine.py:110

Functionevaluate

(model, norm_factor, target, data_loader, device, amp_autocast=None, print_freq=100, logger=None)

oc20/trainer/engine.py:110

oc20/trainer/logger.py:43

Methodexpand_edge

(self, edge_index)

nets/equiformer_v2/so3.py:262

Methodextra_repr

(self)

nets/equiformer_v2/drop.py:41

Methodextra_repr

(self)

nets/equiformer_v2/drop.py:63

Methodextra_repr

(self)

nets/equiformer_v2/drop.py:111

Methodextra_repr

(self)

nets/equiformer_v2/drop.py:144

Methodextra_repr

(self)

nets/equiformer_v2/gaussian_rbf.py:43

Methodextra_repr

(self)

nets/equiformer_v2/activation.py:19

Methodextra_repr

(self)

nets/equiformer_v2/activation.py:76

Methodextra_repr

(self)

nets/equiformer_v2/activation.py:91

Methodforward

(self, x)

nets/equiformer_v2/drop.py:38

Methodforward

(self, x, batch)

nets/equiformer_v2/drop.py:54

Methodforward

(self, x)

nets/equiformer_v2/drop.py:79

Methodforward

(self, x)

nets/equiformer_v2/drop.py:96

Methodforward

(self, x, batch=None)

nets/equiformer_v2/drop.py:123

Methodforward

(self, data)

nets/equiformer_v2/equiformer_v2_oc20.py:357

Methodforward

(self, x_m)

nets/equiformer_v2/so2_ops.py:53

Methodforward

(self, x, x_edge)

nets/equiformer_v2/so2_ops.py:136

Methodforward

(self, x, x_edge)

nets/equiformer_v2/so2_ops.py:276

Methodforward

(self, dist, node_atom=None, edge_src=None, edge_dst=None)

nets/equiformer_v2/gaussian_rbf.py:32

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