aleimi
Documentation |
|
Tutorials |
|
CI/CD |
|
Build |
|
Source Code |
|
Python Versions |
|
Dependencies |
|
License |
|
Downloads |
Description
aleimi is a versatile Python package designed for performing conformational analysis of small molecules. The package utilizes a range of theories, including classical mechanics, semiempirical, and high-level quantum mechanics, to provide comprehensive and accurate analyses of molecular conformations.
You can try it out prior to any installation on Binder.
Documentation
The installation instructions, documentation and tutorials can be found online on ReadTheDocs.
Issues
If you have found a bug, please open an issue on the GitHub Issues.
Discussion
If you have questions on how to use aleimi, or if you want to give feedback or share ideas and new features, please head to the GitHub Discussions.
Citing aleimi
Please refer to the citation page on the documentation.
1 maintainer
Metadata
1 maintainer
Release files for aleimi 0.0.2
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| aleimi-0.0.2.tar.gz | 26.2 kB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| aleimi-0.0.2-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 52.7 kB
Release files / aleimi-0.0.2.tar.gz
| Download URL | aleimi-0.0.2.tar.gz |
|---|---|
| Size | 26.2 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
50cb0e02b17e89a3c077b2894ddb746e3e73982a6b4446eb3f69e1c8b8de4cbc
|
|
BLAKE2b-256 checksum How to use checksums |
2f683ece24a617fa238dbcf65450fd6cacc678ef3a7d6da1eece6b47de18481b
|
| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/4.0.2 CPython/3.10.13
|
Release files / aleimi-0.0.2-py3-none-any.whl
| Download URL | aleimi-0.0.2-py3-none-any.whl |
|---|---|
| Size | 26.5 kB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
93702955818a9cf6aed70c49b3c5dd18e0550f2f6907db52b2a0b7aaa78e436a
|
|
BLAKE2b-256 checksum How to use checksums |
596b02c456f957cd3a6794bccb3c82809596ba7c801cca734b51a86cf31fc86a
|
| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/4.0.2 CPython/3.10.13
|
