upload intellifold_v2.py

#2
Files changed (5) hide show
  1. .gitattributes +0 -1
  2. README.md +8 -30
  3. ccd_v2.pkl +0 -3
  4. intellifold_v2.pt +0 -3
  5. pdb_seqres_2022_09_28.fasta +0 -3
.gitattributes CHANGED
@@ -35,4 +35,3 @@ saved_model/**/* filter=lfs diff=lfs merge=lfs -text
35
  *tfevents* filter=lfs diff=lfs merge=lfs -text
36
  protein_id_groups.json filter=lfs diff=lfs merge=lfs -text
37
  unique_protein_sequences.fasta filter=lfs diff=lfs merge=lfs -text
38
- pdb_seqres_2022_09_28.fasta filter=lfs diff=lfs merge=lfs -text
 
35
  *tfevents* filter=lfs diff=lfs merge=lfs -text
36
  protein_id_groups.json filter=lfs diff=lfs merge=lfs -text
37
  unique_protein_sequences.fasta filter=lfs diff=lfs merge=lfs -text
 
README.md CHANGED
@@ -5,7 +5,6 @@ tags:
5
  - chemistry
6
  - biomolecular-structure-prediction
7
  - IntelliFold
8
- library_name: intellifold
9
  ---
10
 
11
  ![IntelliFold Cover](https://raw.githubusercontent.com/IntelliGen-AI/IntelliFold/main/assets/intellifold-cover.png)
@@ -19,27 +18,12 @@ library_name: intellifold
19
 
20
  <div align="center" style="margin: 20px 0;">
21
  <span style="margin: 0 10px;">⚑ <a href="https://server.intfold.com">IntelliFold Server</a></span>
22
- &bull; <span style="margin: 0 10px;">πŸ“„ <a href="https://raw.githubusercontent.com/IntelliGen-AI/IntelliFold/main//Intellifold_v2_release_note.pdf">IntelliFold 2 Release Note</a></span> &bull; <span style="margin: 0 10px;">πŸ“„ <a href="https://arxiv.org/abs/2507.02025">IntelliFold Technical Report</a></span>
23
-
24
  </div>
25
 
26
 
27
  ![IntelliFold Model](https://raw.githubusercontent.com/IntelliGen-AI/IntelliFold/main/assets/Intellifold-Model-Arc.png)
28
 
29
- ## πŸŽ‰ New Model Release
30
-
31
- - **2026-02-07**: We are excited to present [[IntelliFold 2]](assets/Intellifold_v2_release_note.pdf). This version represents a
32
- major architectural update and is one of the first open-source models to outperform AlphaFold3 on
33
- Foldbench.
34
-
35
-
36
- ## πŸ“Š Benchmarking
37
- To comprehensively evaluate the performance of IntelliFold 2, we conducted a rigorous evaluation on [FoldBench](https://github.com/BEAM-Labs/FoldBench). We compared IntelliFold against several leading methods, including [Boltz-1,2](https://github.com/jwohlwend/boltz), [Chai-1](https://github.com/chaidiscovery/chai-lab), [Protenix](https://github.com/bytedance/Protenix) and [Alphafold3](https://github.com/google-deepmind/alphafold3).
38
-
39
- For more details on the benchmarking process and results, please refer to our release note [IntelliFold 2 Release Note](https://raw.githubusercontent.com/IntelliGen-AI/IntelliFold/main/assets/Intellifold_v2_release_note.pdf) and [IntelliFold Technical Report](https://arxiv.org/abs/2507.02025).
40
-
41
- ![Benchmark Metrics](https://raw.githubusercontent.com/IntelliGen-AI/IntelliFold/main/assets/Intellifold_v2_performance.png)
42
-
43
 
44
  ## πŸš€ Quick Start
45
 
@@ -65,11 +49,6 @@ To more complete installation instructions and usage, please refer to the [Insta
65
  intellifold predict your_input.yaml --out_dir ./results
66
  ```
67
 
68
- IntelliFold v2-Flash will be used by default, you can also use IntelliFold v2 by specifying the model name:
69
- ```bash
70
- intellifold predict your_input.yaml --out_dir ./results --model v2
71
- ```
72
-
73
  3. **Check Results**: Find predicted structures and confidence scores in the output directory, you can also check the section of **output format** in [output documentation](https://github.com/IntelliGen-AI/IntelliFold/blob/main/docs/input_yaml_format.md#output-format).
74
 
75
  4. **Optional Optimization**: Enable [custom kernels](https://github.com/IntelliGen-AI/IntelliFold/blob/main/docs/kernels.md) for faster inference and reduced memory usage
@@ -77,6 +56,13 @@ To more complete installation instructions and usage, please refer to the [Insta
77
  For comprehensive usage instructions and examples, refer to the [Usage Guide](https://github.com/IntelliGen-AI/IntelliFold/blob/main/docs/usage.md).
78
 
79
 
 
 
 
 
 
 
 
80
 
81
 
82
  ## 🌐 IntelliFold Server
@@ -91,14 +77,6 @@ For comprehensive usage instructions and examples, refer to the [Usage Guide](ht
91
  If you use IntelliFold in your research, please cite our paper:
92
 
93
  ```
94
- @techreport{qiao2026intellifold,
95
- title={{IntelliFold 2: Surpassing AlphaFold 3 via Architectural Refinement and Structural Consistency}},
96
- author={Lifeng Qiao and He Yan and Gary Liu and Gaoxing Guo and Siqi Sun},
97
- year={2026},
98
- institution={IntelliGen-AI},
99
- type={Release Note},
100
- url={https://raw.githubusercontent.com/IntelliGen-AI/IntelliFold/main/assets/Intellifold_v2_release_note.pdf}
101
- }
102
  @misc{theintfoldteam2025intfoldcontrollablefoundationmodel,
103
  title={IntFold: A Controllable Foundation Model for General and Specialized Biomolecular Structure Prediction},
104
  author={The IntFold Team and Leon Qiao and Wayne Bai and He Yan and Gary Liu and Nova Xi and Xiang Zhang},
 
5
  - chemistry
6
  - biomolecular-structure-prediction
7
  - IntelliFold
 
8
  ---
9
 
10
  ![IntelliFold Cover](https://raw.githubusercontent.com/IntelliGen-AI/IntelliFold/main/assets/intellifold-cover.png)
 
18
 
19
  <div align="center" style="margin: 20px 0;">
20
  <span style="margin: 0 10px;">⚑ <a href="https://server.intfold.com">IntelliFold Server</a></span>
21
+ &bull; <span style="margin: 0 10px;">πŸ“„ <a href="https://arxiv.org/abs/2507.02025">Technical Report</a></span>
 
22
  </div>
23
 
24
 
25
  ![IntelliFold Model](https://raw.githubusercontent.com/IntelliGen-AI/IntelliFold/main/assets/Intellifold-Model-Arc.png)
26
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
27
 
28
  ## πŸš€ Quick Start
29
 
 
49
  intellifold predict your_input.yaml --out_dir ./results
50
  ```
51
 
 
 
 
 
 
52
  3. **Check Results**: Find predicted structures and confidence scores in the output directory, you can also check the section of **output format** in [output documentation](https://github.com/IntelliGen-AI/IntelliFold/blob/main/docs/input_yaml_format.md#output-format).
53
 
54
  4. **Optional Optimization**: Enable [custom kernels](https://github.com/IntelliGen-AI/IntelliFold/blob/main/docs/kernels.md) for faster inference and reduced memory usage
 
56
  For comprehensive usage instructions and examples, refer to the [Usage Guide](https://github.com/IntelliGen-AI/IntelliFold/blob/main/docs/usage.md).
57
 
58
 
59
+ ## πŸ“Š Benchmarking
60
+ To comprehensively evaluate the performance of To quickly get started with IntelliFold, you can use the following commands:
61
+ , we conducted a rigorous evaluation on [FoldBench](https://github.com/BEAM-Labs/FoldBench). We compared IntelliFold against several leading methods, including [Boltz-1,2](https://github.com/jwohlwend/boltz), [Chai-1](https://github.com/chaidiscovery/chai-lab), [Protenix](https://github.com/bytedance/Protenix) and [Alphafold3](https://github.com/google-deepmind/alphafold3).
62
+
63
+ For more details on the benchmarking process and results, please refer to our [Technical Report](https://arxiv.org/abs/2507.02025).
64
+
65
+ ![Benchmark Metrics](https://raw.githubusercontent.com/IntelliGen-AI/IntelliFold/main/assets/intellifold_metrics.png)
66
 
67
 
68
  ## 🌐 IntelliFold Server
 
77
  If you use IntelliFold in your research, please cite our paper:
78
 
79
  ```
 
 
 
 
 
 
 
 
80
  @misc{theintfoldteam2025intfoldcontrollablefoundationmodel,
81
  title={IntFold: A Controllable Foundation Model for General and Specialized Biomolecular Structure Prediction},
82
  author={The IntFold Team and Leon Qiao and Wayne Bai and He Yan and Gary Liu and Nova Xi and Xiang Zhang},
ccd_v2.pkl DELETED
@@ -1,3 +0,0 @@
1
- version https://git-lfs.github.com/spec/v1
2
- oid sha256:8766edb6a88e01461a123e8a4e2d5e33846821b808444737cd82e441998801f8
3
- size 413033419
 
 
 
 
intellifold_v2.pt DELETED
@@ -1,3 +0,0 @@
1
- version https://git-lfs.github.com/spec/v1
2
- oid sha256:8ee1c03344a94c8d3408f9579b3869f791701b7945e23255331d44fb7cc41aaa
3
- size 3401386544
 
 
 
 
pdb_seqres_2022_09_28.fasta DELETED
@@ -1,3 +0,0 @@
1
- version https://git-lfs.github.com/spec/v1
2
- oid sha256:1b3bc853322c32f2eea818065b8f569a18d25a52326a8d2c2c3de85752e55fe1
3
- size 232899463