Downloads in the 30 and 7 days to October 10, 2026. Refreshed weekly.
Package Information
No reported malware or high/critical advisories · Details
The current version has no OSV.dev malware reports and no critical or high-severity vulnerabilities.
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Dependencies
- ase >=3.28.0
- boto3 <2,>=1.40.49
- dash <5,>=4.0.0
- janus-core <1.0.0,>=0.9.2
- kaleido <2,>=1.0.0
-
matcalc
<0.5,>=0.4.7
python_full_version >= "3.11"
- matminer <0.10,>=0.9.3
- mdanalysis <3,>=2.9.0
- mlipx <0.2,>=0.1.5
- molify <0.3,>=0.2.2
-
numpy
<3,>=1.26.4
python_full_version < "3.13"
- openpyxl <4,>=3.1.5
- plotly <7,>=6
- scikit-learn <2,>=1.7.2
- scipy <1.17,>=1
- tqdm <5,>=4.67.3
- typer <1.0.0,>=0.19.1
16 optional dependencies
-
asemolec[asemolec]extra == "asemolec"
-
chgnet==0.4.0[chgnet]extra == "chgnet"
-
cuequivariance==0.8.1[vivace]sys_platform != "linux" and extra == "vivace"
-
cuequivariance-torch==0.8.1[vivace]sys_platform != "linux" and extra == "vivace"
-
deepmd-kit==3.2.0[dpa]extra == "dpa"
-
fairchem-core==2.19.0[uma]python_full_version >= "3.11" and extra == "uma"
-
graph-longrange==0.4.0[mace]extra == "mace"
-
mace-torch==0.3.16[mace]extra == "mace"
-
mattersim==1.2.4[mattersim]python_full_version >= "3.12" and extra == "mattersim"
-
mlipaudit==0.1.8[mlipaudit]python_full_version >= "3.11" and python_full_version < "3.14" and extra == "mlipaudit"
-
orb-models==0.6.2[orb]python_full_version >= "3.12" and sys_platform != "win32" and extra == "orb"
-
sevenn==0.12.1[sevenn]extra == "sevenn"
-
simpoly[vivace]sys_platform == "linux" and extra == "vivace"
-
tensorpotential==0.6.0[grace]extra == "grace"
-
torch-dftd==0.5.1[d3]extra == "d3"
-
upet==0.2.4[upet]python_full_version >= "3.11" and extra == "upet"