Published December 22, 2023
| Version v1
Dataset
Open
Machine Learning Guided AQFEP: A Fast & Efficient Absolute Free Energy Perturbation Solution for Virtual Screening
Description
Data to reproduce primary figures in the manuscript titled: Machine Learning Guided AQFEP: A Fast & Efficient Absolute Free Energy Perturbation Solution for Virtual Screening.
URL: https://chemrxiv.org/engage/chemrxiv/article-details/6583785e66c1381729ac86f5
Files
cMet_benchmark_all_scores.csv
Files
(6.3 MB)
| Name | Size | Download all |
|---|---|---|
|
md5:20c4c48b3be960b9e9824c16882a0447
|
370.5 kB | Download |
|
md5:be7fd06327c5bd313687ca722c66c090
|
6.2 kB | Download |
|
md5:c5dc693737d2db1c2c28c502ac654a7c
|
4.0 MB | Download |
|
md5:bc52c0f168e657e534ad6a0c11fc9822
|
1.1 MB | Download |
|
md5:ed082402da9c5766bce69acf849c65e4
|
3.0 kB | Preview Download |
|
md5:9315720cf10c3f231d81ad8c5743d4fe
|
25.0 kB | Preview Download |
|
md5:ba282a65f1e4dd7f5e57bd170c077324
|
371.1 kB | Download |
|
md5:8a7ac3676a4de8c5486eddf26551d106
|
88.5 kB | Preview Download |
|
md5:e111eabbe327a0c3c9791853062223c6
|
324.3 kB | Preview Download |