Create README.md

README.md

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+---
+license: apache-2.0
+tags:
+- chemistry
+- biology
+- molecule
+- instructions
+---
+This repo contains a low-rank adapter for LLaMA-7b fit on the 🧪 [Mol-Instructions](https://huggingface.co/datasets/zjunlp/Mol-Instructions) dataset.
+
+
+Instructions for running it can be found at https://github.com/zjunlp/Mol-Instructions.
+
+
+<h3> 🔬 Tasks</h3>
+
+
+<details>
+  <summary><b>Molecule description generation</b></summary>
+  
+- *Please give me some details about this molecule:*
+ [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C@H1][Branch2][Ring1][=Branch1][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][N]
+
+  ```
+  The molecule is a 3-sn-phosphatidyl-L-serine in which the phosphatidyl acyl groups at positions 1 and 2 are specified as stearoyl and arachidonoyl respectively. 
+  It is functionally related to an arachidonic acid and an octadecanoic acid.
+  ```
+</details>
+
+<details>
+  <summary><b>Description-guided molecule design</b></summary>
+  
+- *Create a molecule with the structure as the one described:*
+  The molecule is a primary arylamine in which an amino functional group is substituted for one of the benzene hydrogens. It is a primary arylamine and a member of anilines.
+  
+  ```
+  [N][C][=C][C][=C][C][=C][Ring1][=Branch1]
+  ```
+</details>
+
+<details>
+  <summary><b>Forward reaction prediction</b></summary>
+  
+- *With the provided reactants and reagents, propose a potential product:*
+  [O][=N+1][Branch1][C][O-1][C][=C][N][=C][Branch1][C][Cl][C][Branch1][C][I][=C][Ring1][Branch2].[Fe]
+  
+   ```
+  [N][C][=C][N][=C][Branch1][C][Cl][C][Branch1][C][I][=C][Ring1][Branch2]
+  ```
+</details>
+
+<details>
+  <summary><b>Retrosynthesis</b></summary>
+  
+- *Please suggest potential reactants used in the synthesis of the provided product:*
+  [C][=C][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]
+  
+  ```
+  [C][=C][C][C][N].[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]
+  ```
+</details>
+
+
+<details>
+  <summary><b>Reagent prediction</b></summary>
+  
+- *Please provide possible reagents based on the following chemical reaction:*
+  [C][C][=C][C][=C][Branch1][C][N][C][=N][Ring1][#Branch1].[O][=C][Branch1][C][Cl][C][Cl]>>[C][C][=C][C][=C][Branch1][Branch2][N][C][=Branch1][C][=O][C][Cl][C][=N][Ring1][O]
+
+  ```
+  [C][C][C][O][C][Ring1][Branch1].[C][C][N][Branch1][Ring1][C][C][C][C].[O]
+  ```
+</details>
+
+<details>
+  <summary><b>Property prediction</b></summary>
+  
+- *Please provide the HOMO energy value for this molecule:*
+  [C][C][O][C][C][Branch1][C][C][C][Branch1][C][C][C]
+
+  ```
+  -0.2482
+  ```
+</details>
+
+
+<h3> 🚨 Limitations</h3>
+
+The current state of the model, obtained via instruction tuning, is a preliminary demonstration. Its capacity to handle real-world, production-grade tasks remains limited. 
+
+<h3> 📚 References</h3>
+If you use our repository, please cite the following related paper:
+
+```
+@article{molinst,
+  author = {Yin Fang, Xiaozhuan Liang, Ningyu Zhang, Kangwei Liu, Rui Huang, Zhuo Chen, Xiaohui Fan and Huajun Chen},
+  title = {Mol-Instructions: A Large-Scale Biomolecular Instruction Dataset for Large Language Models},
+  journal = {arXiv preprint}
+  year = {2023},
+}
+```
+            
+<h3 id="5-2"> 🫱🏻‍🫲🏾 5.2 Acknowledgements</h3>
+
+We appreciate [LLaMA](https://github.com/facebookresearch/llama), [Huggingface Transformers Llama](https://github.com/huggingface/transformers/tree/main/src/transformers/models/llama), [Alpaca](https://crfm.stanford.edu/2023/03/13/alpaca.html), [Alpaca-LoRA](https://github.com/tloen/alpaca-lora), [Chatbot Service](https://github.com/deep-diver/LLM-As-Chatbot) and many other related works for their open-source contributions.