Active site sequence representation of human kinases outperforms full sequence for affinity prediction
- Jannis Born
- Tien Huynh
- et al.
- 2021
- NeurIPS 2021
Publications
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98 results at NeurIPS 2021
Sign-MAML: Efficient Model-Agnostic Meta-Learning by SignSGD
- Chen Fan
- Parikshit Ram
- et al.
- 2021
- NeurIPS 2021
Sample-efficient Generation of Novel Photo-acid Generator Molecules using a Deep Generative Model
- Samuel Hoffman
- Vijil Vijil
- et al.
- 2021
- NeurIPS 2021
S3RP: Self-Supervised Super-Resolution and Prediction for Advection-Diffusion Process
- Chulin Wang
- Kyongmin Yeo
- et al.
- 2021
- NeurIPS 2021
QTN-VQC: An End-to-End Learning Framework for Quantum Neural Networks
- Jun Qi
- Chao-Han Huck Yang
- et al.
- 2021
- NeurIPS 2021
Optimizing Functionals on the Space of Probabilities with Input Convex Neural Network
- David Alvarez-Melis
- Yair Schiff
- et al.
- 2021
- NeurIPS 2021
Accurate Multi-Endpoint Molecular Toxicity Predictions in Humans with Contrastive Explanations
- Bhanushee Sharma
- Vijil Vijil
- et al.
- 2021
- NeurIPS 2021
Topological Deep Learning
- Mustafa Hajij
- Karthikeyan Natesan Ramamurthy
- et al.
- 2021
- NeurIPS 2021
Pessimistic Model Selection for Offline Deep Reinforcement Learning
- Chao-Han Huck Yang
- Zhengling Qi
- et al.
- 2021
- NeurIPS 2021
Fair Data Generation using Language Models with Hard Constraints
- SK Mainul Islam
- Abhinav Nagpal
- et al.
- 2021
- NeurIPS 2021