stjames

pypi License Powered by: uv Code style: ruff

STructured JSON Atom/Molecule Encoding Scheme

This is the Rowan schema for passing molecule/calculation data back and forth between different parts of the software.

This is not intended to be run as a standalone library: it's basically just a big composite Pydantic model which does some validation and intelligent default selection. (A benefit of doing validation on the client side is that it's transparent to the end user—you can see all of the settings that the calculation will use.)

Project links

Key dates

PyPI data
Data sourced directly from PyPI's database.
  • Released:
Newer release available (0.0.256)

1 maintainer

PyPI data
Data sourced directly from PyPI's database.
Avatar for cwagen from gravatar.com cwagen

Requires

Python >=3.11

Provides Extra

rdkit

Report project as malware

Download files

Download the file for your platform. If you're not sure which to choose, learn more about installing packages.

Source Distribution

stjames-0.0.246.tar.gz (138.6 kB view details)

Uploaded Source

Built Distribution

If you're not sure about the file name format, learn more about wheel file names.

stjames-0.0.246-py3-none-any.whl (158.8 kB view details)

Uploaded Python 3

File details

Details for the file stjames-0.0.246.tar.gz.

File metadata

  • Download URL: stjames-0.0.246.tar.gz
  • Upload date:
  • Size: 138.6 kB
  • Tags: Source
  • Uploaded using Trusted Publishing? No
  • Uploaded via: uv/0.12.3 {"installer":{"name":"uv","version":"0.12.3","subcommand":["publish"]},"python":null,"implementation":{"name":null,"version":null},"distro":{"name":"Ubuntu","version":"24.04","id":"noble","libc":null},"system":{"name":null,"release":null},"cpu":null,"openssl_version":null,"setuptools_version":null,"rustc_version":null,"ci":true}

File hashes

Hashes for stjames-0.0.246.tar.gz
Algorithm Hash digest
SHA256 893b44e1ce7b439aca95c09ae0298a82aeb6216050b0c5577d0df27d0f6a4c5e
MD5 1386caa50cc7ddbf1106777f6b87884b
BLAKE2b-256 1304867726ab3a5a8c5e6ef772fd5634a45431de9a607894c975877684608f7d

See more details on using hashes here.

File details

Details for the file stjames-0.0.246-py3-none-any.whl.

File metadata

  • Download URL: stjames-0.0.246-py3-none-any.whl
  • Upload date:
  • Size: 158.8 kB
  • Tags: Python 3
  • Uploaded using Trusted Publishing? No
  • Uploaded via: uv/0.12.3 {"installer":{"name":"uv","version":"0.12.3","subcommand":["publish"]},"python":null,"implementation":{"name":null,"version":null},"distro":{"name":"Ubuntu","version":"24.04","id":"noble","libc":null},"system":{"name":null,"release":null},"cpu":null,"openssl_version":null,"setuptools_version":null,"rustc_version":null,"ci":true}

File hashes

Hashes for stjames-0.0.246-py3-none-any.whl
Algorithm Hash digest
SHA256 e9f66871fdb98c316fcf1b2ea1b3cd89f7098bcd05296316d36eaaa0cf6789f3
MD5 7c6f109c88f0795f30471d41f9f1d182
BLAKE2b-256 8be95f59b307ad50f12bfe8c1050d64533d425ccdff3cc704645f5c8880c1b81

See more details on using hashes here.

Release history Release notifications | RSS feed

0.0.256

2 files

0.0.255

2 files

0.0.254

2 files

0.0.253

2 files

0.0.252

2 files

0.0.251

2 files

0.0.250

2 files

0.0.249

2 files

0.0.247

2 files

This release

0.0.246 This release

2 files

0.0.245

2 files

0.0.244

2 files

0.0.243

2 files

0.0.242

2 files

0.0.241

2 files

0.0.240

2 files

0.0.238

2 files

0.0.237

2 files

0.0.236

2 files

0.0.235

2 files

0.0.234

2 files

0.0.233

2 files

0.0.232

2 files

0.0.231

2 files

0.0.230

2 files

0.0.229

2 files

0.0.228

2 files

0.0.227

2 files

0.0.226

2 files

0.0.225

2 files

0.0.224

2 files

0.0.223

2 files

0.0.222

2 files

0.0.221

2 files

0.0.220

2 files

0.0.219

2 files

0.0.218

2 files

0.0.217

2 files

0.0.216

2 files

0.0.215

2 files

0.0.214

2 files

0.0.213

2 files

0.0.212

2 files

0.0.211

2 files

0.0.210

2 files

0.0.209

2 files

0.0.208

2 files

0.0.207

2 files

0.0.206

2 files

0.0.205

2 files

0.0.204

2 files

0.0.203

2 files

0.0.202

2 files

0.0.201

2 files

0.0.200

2 files

0.0.199

2 files

0.0.198

2 files

0.0.197

2 files

0.0.196

2 files

0.0.195

2 files

0.0.194

2 files

0.0.193

2 files

0.0.192

2 files

0.0.191

2 files

0.0.190

2 files

0.0.189

2 files

0.0.188

2 files

0.0.187

2 files

0.0.186

2 files

0.0.185

2 files

0.0.184

2 files

0.0.183

2 files

0.0.182

2 files

0.0.181

2 files

0.0.180

2 files

0.0.179

2 files

0.0.177

2 files

0.0.176

2 files

0.0.175

2 files

0.0.174

2 files

0.0.173

2 files

0.0.172

2 files

0.0.171

2 files

0.0.170

2 files

0.0.169

2 files

0.0.168

2 files

0.0.167

2 files

0.0.166

2 files

0.0.165

2 files

0.0.163

2 files

0.0.162

2 files

0.0.161

2 files

0.0.160

2 files

0.0.159

2 files

0.0.158

2 files

0.0.157

1 file

0.0.156

2 files

0.0.155

2 files

0.0.154

2 files

0.0.153

2 files

0.0.152

2 files

0.0.151

2 files

0.0.150

2 files

0.0.149

2 files

0.0.148

2 files

0.0.146

2 files

0.0.145

2 files

0.0.144

2 files

0.0.143

2 files

0.0.142

2 files

0.0.141

2 files

0.0.140

2 files

0.0.139

2 files

0.0.138

2 files

0.0.137

2 files

0.0.136

2 files

0.0.135

2 files

0.0.133

2 files

0.0.132

2 files

0.0.131

2 files

0.0.130

2 files

0.0.129

2 files

0.0.128

2 files

0.0.126

2 files

0.0.125

2 files

0.0.124

2 files

0.0.123

2 files

0.0.122

2 files

0.0.121

2 files

0.0.120

2 files

0.0.119

2 files

0.0.117

2 files

0.0.116

2 files

0.0.115

2 files

0.0.114

2 files

0.0.112

2 files

0.0.111

2 files

0.0.110

2 files

0.0.109

2 files

0.0.108

2 files

0.0.106

2 files

0.0.105

2 files

0.0.104

2 files

0.0.103

2 files

0.0.102

2 files

0.0.101

2 files

0.0.99

2 files

0.0.98

2 files

0.0.97

2 files

0.0.96

2 files

0.0.95

2 files

0.0.94

2 files

0.0.93

2 files

0.0.92

2 files

0.0.91

2 files

0.0.90

2 files

0.0.89

2 files

0.0.88

2 files

0.0.87

2 files

0.0.85

2 files

0.0.84

2 files

0.0.83

2 files

0.0.82

2 files

0.0.81

2 files

0.0.80

2 files

0.0.79

2 files

0.0.78

2 files

0.0.77

2 files

0.0.76

2 files

0.0.75

2 files

0.0.74

2 files

0.0.73

2 files

0.0.72

2 files

0.0.71

2 files

0.0.70

2 files

0.0.69

2 files

0.0.68

2 files

0.0.67

2 files

0.0.66

2 files

0.0.65

2 files

0.0.64

2 files

0.0.63

2 files

0.0.62

2 files

0.0.61

2 files

0.0.59

2 files

0.0.58

2 files

0.0.57

2 files

0.0.56

2 files

0.0.55

2 files

0.0.54

2 files

0.0.53

2 files

0.0.52

2 files

0.0.51

2 files

0.0.50

2 files

0.0.49

2 files

0.0.48

2 files

0.0.47

2 files

0.0.46

2 files

0.0.45

2 files

0.0.44

2 files

0.0.43

2 files

0.0.42

2 files

0.0.41

2 files

0.0.40

2 files

0.0.39

2 files

0.0.38

2 files

0.0.37

2 files

0.0.36

2 files

0.0.35

2 files

0.0.34

2 files

0.0.33

2 files

0.0.32

2 files

0.0.31

2 files

0.0.30

2 files

0.0.29

2 files

0.0.28

2 files

0.0.27

2 files

0.0.26

2 files

0.0.25

2 files

0.0.24

2 files

0.0.23

2 files

0.0.22

2 files

0.0.21

2 files

0.0.20

2 files

0.0.19

2 files

0.0.18

2 files

0.0.17

2 files

0.0.16

2 files

0.0.14

2 files

0.0.13

2 files

0.0.12

2 files

0.0.11

2 files

0.0.10

2 files

0.0.9

2 files

0.0.8

2 files

0.0.7

2 files

0.0.6

2 files

0.0.5

2 files

0.0.4

2 files

0.0.2

2 files

0.0.1

2 files

Supported by

AWS Cloud computing and Security Sponsor Datadog Monitoring Depot Continuous Integration Fastly CDN Google Download Analytics Sentry Error logging StatusPage Status page