Skip to content

Commit d353ff4

Browse files
authored
Update README.md
1 parent 8f3391b commit d353ff4

File tree

1 file changed

+5
-4
lines changed

1 file changed

+5
-4
lines changed

README.md

Lines changed: 5 additions & 4 deletions
Original file line numberDiff line numberDiff line change
@@ -426,6 +426,7 @@ FLARE is an open-source Python package for creating fast and accurate interatomi
426426
- [PFP](https://matlantis.com/)
427427
<br>Here we report a development of universal NNP called PreFerred Potential (PFP), which is able to handle any combination of 45 elements. Particular emphasis is placed on the datasets, which include a diverse set of virtual structures used to attain the universality.
428428

429+
<!-- markdown-link-check-disable-next-line -->
429430
- [TeaNet](https://codeocean.com/capsule/4358608/tree)
430431
<br>universal neural network interatomic potential inspired by iterative electronic relaxations.
431432

@@ -463,9 +464,9 @@ Graph Inference on Molecular Topology. A package for modelling, learning, and in
463464
- [OrbNet; OrbNet Denali](https://arxiv.org/abs/2107.00299)
464465
<br>OrbNet Denali: A machine learning potential for biological and organic chemistry with semi-empirical cost and DFT accuracy.
465466
<!-- markdown-link-check-disable-next-line -->
466-
467-
- [ OrbNet-Equi](https://doi.org/10.1073/pnas.2205221119)
468-
INFORMING GEOMETRIC DEEP LEARNING WITH ELECTRONIC INTERACTIONS TO ACCELERATE QUANTUM CHEMISTRY
467+
<!-- markdown-link-check-disable-next-line -->
468+
- [OrbNet-Equi](https://doi.org/10.1073/pnas.2205221119)
469+
<br>INFORMING GEOMETRIC DEEP LEARNING WITH ELECTRONIC INTERACTIONS TO ACCELERATE QUANTUM CHEMISTRY
469470

470471
<!-- markdown-link-check-disable-next-line -->
471472
- [OrbNet-Spin,OrbitAll](https://ml4physicalsciences.github.io/2024/files/NeurIPS_ML4PS_2024_214.pdf)
@@ -544,8 +545,8 @@ mlcolvar is a Python library aimed to help design data-driven collective-variabl
544545

545546
- [DeeP-HP](https://github.com/TinkerTools/tinker-hp/blob/master/GPU/Deep-HP.md)
546547
<br> Scalable hybrid deep neural networks/polarizable potentials biomolecular simulations including long-range effects
547-
<!-- markdown-link-check-disable-next-line -->
548548

549+
<!-- markdown-link-check-disable-next-line -->
549550
- [PairF-Net](https://onlinelibrary.wiley.com/doi/10.1002/jcc.27313)
550551
Here, we further develop the PairF-Net model to intrinsically incorporate energy conservation and couple the model to a molecular mechanical (MM) environment within the OpenMM package
551552

0 commit comments

Comments
 (0)