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Naplessss authored Aug 27, 2024
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Expand Up @@ -11,8 +11,8 @@ Welcome to the official repository for the Uni-Mol series methods!
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| [Uni-Mol](./unimol/) | Molecule Representation Framework | Uni-Mol is a universal 3D molecular representation learning framework designed for various downstreams tasks. You can use Uni-Mol in various molecule related tasks, including molecule property prediction, binding pose prediction etc. Released with [Zhou et al. 2022](https://openreview.net/forum?id=6K2RM6wVqKu) (ICLR 2023).|
| [Uni-Mol+](./unimol_plus/) | Molecule Quantumn Chemical Modeling | Un-Mol+ is design for molecule quantumn chemical property prediction, and ranks the 1st in two well-known benchmarks, OGB-LSC and OC20. You can use Uni-Mol+ in molecule geometry related tasks, such as conformation generation and optimization, quantumn property prediction. Released with [Lu et al. 2023](https://www.nature.com/articles/s41467-024-51321-w) (Nat Comm, Aug 2024). |
| [Uni-Mol Tools](./unimol_tools/) | Molecule Property Prediction Tools | Uni-Mol tools is a easy-use wrappers for automatic property prediction, representation with Uni-Mol. You can install with `pip install unimol-tools`. Released with [Gao et al. 2023](https://arxiv.org/pdf/2304.12239). (Arixv Report, Apr 2023).|
| [Uni-Mol Docking](./unimol_docking_v2/) | Protein Ligand Docking Tools | Uni-Mol Docking achieves industry-leading performance in complex structure prediction, comparable to AlphaFold3. You can use Uni-Mol Docking for target docking with given pockets. Released with [E Alcaide et al. 2024](https://arxiv.org/pdf/2405.11769). (Arixv Report, May 2024).|
| [Uni-Mol Tools](./unimol_tools/) | Molecule Property Prediction Tools | Uni-Mol tools is a easy-use wrappers for automatic property prediction, representation with Uni-Mol. You can install with `pip install unimol-tools`. Released with [Gao et al. 2023](https://arxiv.org/pdf/2304.12239). (Arxiv Report, Apr 2023).|
| [Uni-Mol Docking](./unimol_docking_v2/) | Protein Ligand Docking Tools | Uni-Mol Docking achieves industry-leading performance in complex structure prediction, comparable to AlphaFold3. You can use Uni-Mol Docking for target docking with given pockets. Released with [E Alcaide et al. 2024](https://arxiv.org/pdf/2405.11769). (Arxiv Report, May 2024).|


Uni-Mol: A Universal 3D Molecular Representation Learning Framework
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