E3FP [1] is a 3D molecular fingerprinting method inspired by Extended Connectivity FingerPrints (ECFP) [2], integrating tightly with the RDKit.
Documentation is hosted by ReadTheDocs, and development occurs on GitHub.
Installation and Usage
For installation and usage instructions, see the documentation.
See the E3FP paper repository for an application of E3FP and all code used for the E3FP paper [1].
License
E3FP is available under the GNU Lesser General Public License version 3.0 (LGPLv3). See the documentation for more details.
References
Release files for e3fp 1.2.7
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | Provenance | Actions |
|---|---|---|---|---|
| e3fp-1.2.7.tar.gz | 59.2 kB | Without provenance | Details for e3fp-1.2.7.tar.gz |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Actions Reset |
|---|---|---|---|---|
| e3fp-1.2.7-py3-none-any.whl | Python 3 | none | any | Details for e3fp-1.2.7-py3-none-any.whl |
Total release size: 126.0 kB
Release files / e3fp-1.2.7.tar.gz
| Download URL | e3fp-1.2.7.tar.gz |
|---|---|
| Size | 59.2 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
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BLAKE2b-256 checksum How to use checksums |
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| Upload date | |
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Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
uv/0.5.2
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Release files / e3fp-1.2.7-py3-none-any.whl
| Download URL | e3fp-1.2.7-py3-none-any.whl |
|---|---|
| Size | 66.8 kB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
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BLAKE2b-256 checksum How to use checksums |
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|
| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
uv/0.5.2
|
Security for e3fp 1.2.7
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