SchNetPack: A Deep Learning Toolbox For Atomistic Systems.

SchNetPack is a toolbox for the development and application of deep neural networks that predict potential energy surfaces and other quantum-chemical properties of molecules and materials. It contains basic building blocks of atomistic neural networks, manages their training, and provides simple access to common benchmark datasets. This allows for an easy implementation and evaluation of new models. For now, SchNetPack includes implementations of (weighted) atom-centered symmetry functions and the deep tensor neural network SchNet, as well as ready-to-use scripts that allow one to train these models on molecule and material datasets. Based on the PyTorch deep learning framework, SchNetPack allows one to efficiently apply the neural networks to large datasets with millions of reference calculations, as well as parallelize the model across multiple GPUs. Finally, SchNetPack provides an interface to the Atomic Simulation Environment in order to make trained models easily accessible to researchers that are not yet familiar with neural networks.

Misoprostol versus curettage in women with early pregnancy failure: impact on women's health-related quality of life. A randomized controlled trial.

BACKGROUND: We aimed to compare patients' health-related quality of life after a misoprostol strategy to a curettage in women with early pregnancy failure after failed expectant management. METHODS: A multicentre randomized clinical trial was performed in The Netherlands. In all, 154 women with early pregnancy failure confirmed at ultrasonography who had been managed expectantly unsuccessfully for > or =1 week were randomly assigned to undergo either treatment with misoprostol (n=79) or curettage (n=75). The main outcome measures were health-related quality of life and satisfaction with treatment. RESULTS: In the misoprostol strategy 47% of the women needed additional curettage, as compared to 4% after curettage. In both groups, health-related quality of life was impaired most severely 2 days after treatment. In the misoprostol group, health-related quality of life was more severely impaired; after 2 days this was due to more pain and after 2 and 6 weeks this was due to a worse general health perception. Health-related quality of life was temporarily significantly more impaired in women in whom misoprostol failed as compared to women in whom misoprostol treatment was successful. In both treatment groups, an equal percentage of women (58%) would choose the same treatment in the future. In women treated with misoprostol, however, this choice depended on the initial success of misoprostol: in cases where misoprostol had caused complete evacuation, 76% of the women would opt for the same treatment, whereas only 38% of women who needed curettage after unsuccessful misoprostol would do so (P<0.01). CONCLUSION: Our study shows that, although both the misoprostol strategy and the curettage strategy resulted in complete evacuation in the end, women are willing to accept some disadvantages of misoprostol to avoid curettage. A treatment inconvenience using misoprostol is accepted as long as initial evacuation rate is high. This finding should be an integral part of counselling women when deciding upon management of early pregnancy failure.

Treatment of ectopic pregnancy with methotrexate.

This is a report on the successful treatment of an unruptured tubal pregnancy with methotrexate (MTX). To our knowledge eighteen cases, including ours, have been reported in Western literature so far. The advantages and drawbacks of this therapy are discussed.

Platelet life span in pregnancies resulting in small-for-gestational age infants.

Platelet number and life span were determined in the last trimester of pregnancy in 22 women who were delivered of small-for-gestational age (SGA) infants and in 21 women with infants having normal birth weights. Platelet life span was determined by means of a nonradioisotopic method involving the use of acetylsalicylic acid. Mean platelet life span was 7.2 days in women with SGA infants, which is significantly shorter than the 9.2 days found in the control group. The mean platelet count in the SGA group was 235 x 10(9)/L, whereas in the control group it was 208 x 10(9)/L. These data indicate the existence of a compensated thrombocytolytic state in pregnancies with insufficient fetal growth. This could be explained by an increased platelet consumption in the uteroplacental arterial bed.

Platelet lifespan in normal pregnancy as determined by a nonradioisotopic technique.

A nonradioisotopic technique for determination of platelet lifespan was applied to 19 healthy women whose gestational ages were between 32 and 40 weeks. Nine non-pregnant women and five men were also studied. Platelet counts were performed in all subjects. No significant difference was demonstrated between platelet lifespan in pregnant women (9.2 days), in non-pregnant women (9.7 days) and in men (9.2 days). There was no significant different between platelet counts in men and in non-pregnant women, but the mean number of platelets in pregnant women was significantly lower. It is concluded that no significant changes in platelet behaviour appear to occur in normal pregnancy.