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-0.0.250.tar.gz (142.2 kB view details)

Uploaded Source

Built Distribution

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

stjames-0.0.250-py3-none-any.whl (162.3 kB view details)

Uploaded Python 3

File details

Details for the file stjames-0.0.250.tar.gz.

File metadata

  • Download URL: stjames-0.0.250.tar.gz
  • Upload date:
  • Size: 142.2 kB
  • Tags: Source
  • Uploaded using Trusted Publishing? No
  • Uploaded via: uv/0.12.5 {"installer":{"name":"uv","version":"0.12.5","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-0.0.250.tar.gz
Algorithm Hash digest
SHA256 410f6c1798914f65d4fff1c70c8f396918cc5b6953545bcea622a60227b8cae4
MD5 d83677dd00289b81d58e6ae60a8f6eb9
BLAKE2b-256 b86868e8bb8f82d56171b674af33f5577427ffb92a84f0a7826ed4d7e7ddc30f

See more details on using hashes here.

File details

Details for the file stjames-0.0.250-py3-none-any.whl.

File metadata

  • Download URL: stjames-0.0.250-py3-none-any.whl
  • Upload date:
  • Size: 162.3 kB
  • Tags: Python 3
  • Uploaded using Trusted Publishing? No
  • Uploaded via: uv/0.12.5 {"installer":{"name":"uv","version":"0.12.5","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-0.0.250-py3-none-any.whl
Algorithm Hash digest
SHA256 a235f6a383eb78b59a28efe92786465c59cd30021066ad9da3032a9f05cecea6
MD5 683a68b0db61d3d006ba24fe1596930b
BLAKE2b-256 b9827ee2fa1301a838f26f5aecfee14884a9672646beff87f813666154eb02f1

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

This release

0.0.250 This release

2 files

0.0.249

2 files

0.0.247

2 files

0.0.246

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