dataset compound downloads

Make Your Card

8.3.0.1 download

... at the same time for example sequential, random dataset and constant functions. Make your card utility designs trendy, noticeable multiple color birthday cards for someone special in just minimum efforts. ...

Open3DALIGN x64

2.28 download

... workflow could be the following: 1. A dataset is imported as SDF file 2. Optionally, for each compound of the dataset a quenched molecular dynamics (QMD) conformational search is ... the global minimum 3. One or more template compounds are chosen, then the whole dataset is best-aligned ...

Open3DALIGN for Mac OS X

2.28 download

... workflow could be the following: 1. A dataset is imported as SDF file 2. Optionally, for each compound of the dataset a quenched molecular dynamics (QMD) conformational search is ... the global minimum 3. One or more template compounds are chosen, then the whole dataset is best-aligned ...

Open3DALIGN for Linux

2.28 download

... workflow could be the following: 1. A dataset is imported as SDF file 2. Optionally, for each compound of the dataset a quenched molecular dynamics (QMD) conformational search is ... the global minimum 3. One or more template compounds are chosen, then the whole dataset is best-aligned ...

Open3DALIGN

2.28 download

... workflow could be the following: 1. A dataset is imported as SDF file 2. Optionally, for each compound of the dataset a quenched molecular dynamics (QMD) conformational search is ... the global minimum 3. One or more template compounds are chosen, then the whole dataset is best-aligned ...