atom_types:
  0: H
  1: He
  2: Li
  3: Be
  4: B
  5: C
  6: N
  7: O
  8: F
  9: Ne
  10: Na
  11: Mg
  12: Al
  13: Si
  14: P
  15: S
  16: Cl
  17: Ar
  18: K
  19: Ca
  20: Sc
  21: Ti
  22: V
  23: Cr
  24: Mn
  25: Fe
  26: Co
  27: Ni
  28: Cu
  29: Zn
  30: Ga
  31: Ge
  32: As
  33: Se
  34: Br
  35: Kr
  36: Rb
  37: Sr
  38: Y
  39: Zr
  40: Nb
  41: Mo
  42: Tc
  43: Ru
  44: Rh
  45: Pd
  46: Ag
  47: Cd
  48: In
  49: Sn
  50: Sb
  51: Te
  52: I
  53: Xe
  54: Cs
  55: Ba
  56: La
  57: Ce
  58: Pr
  59: Nd
  60: Pm
  61: Sm
  62: Eu
  63: Gd
  64: Tb
  65: Dy
  66: Ho
  67: Er
  68: Tm
  69: Yb
  70: Lu
  71: Hf
  72: Ta
  73: W
  74: Re
  75: Os
  76: Ir
  77: Pt
  78: Au
  79: Hg
  80: Tl
  81: Pb
  82: Bi
  83: Ac
  84: Th
  85: Pa
  86: U
  87: Np
  88: Pu
available_models:
- eager
- compile
external_modules:
  cuequivariance: 0.5.1
  cuequivariance_torch: 0.7.0
  io: null
  numpy: 1.26.4
  openequivariance: 0.4.2.dev4+ge723ea78d
  opt_einsum_fx: 0.1.4
  packaging: '24.2'
  triton: 3.3.0
package_version_id: 2
versions:
  allegro: 0.7.1
  e3nn: 0.5.6
  nequip: 0.15.0
  talaria: 0.1.0
  torch: 2.7.0+cu128
