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Commits on Oct 24, 2022

• Fixing bug in open source implementation of OGB-LSC/PCQ.

  Show description for a318c69
  

  alvarosg

  authored and

  diegolascasas

  committed
  a318c69

Commits on Oct 12, 2022

• Set small_rho_cutoff in DM21 tests to match pyscf 2.0 behaviour.

  Show description for a748a7c
  

  jsspencer

  authored and

  diegolascasas

  committed
  a748a7c

• Lift restriction on h5py now pyscf 2 is widely available.

  Show description for a8dab39
  

  jsspencer

  authored and

  diegolascasas

  committed
  a8dab39

• Return exc, vxc as float64 arrays.

  Show description for affa162
  

  jsspencer

  authored and

  diegolascasas

  committed
  affa162

• Add unused omega argument to NeuralNumint.eval_xc to match pyscf interface

  Show description for 789bc38
  

  jsspencer

  authored and

  diegolascasas

  committed
  789bc38

• Replace jnp.DeviceArray with the new public type jax.Array.

  Show description for da0f2de
  

  yashk2810

  authored and

  diegolascasas

  committed
  da0f2de

• Make this code compatible with Python 3.10.

  Show description for 58fb45d
  

  yilei

  authored and

  diegolascasas

  committed
  58fb45d

• Make this code compatible with Python 3.10.

  Show description for 3af71dd
  

  yilei

  authored and

  diegolascasas

  committed
  3af71dd

• fix side effects baseline test flakiness due to corner case

  Show description for 586a1c5
  

  vkrakovna

  authored and

  diegolascasas

  committed
  586a1c5

Commits on Jul 24, 2022

• Use jax.tree_util.tree_map in place of deprecated tree_multimap.

  Show description for 6fcb842
  

  Jake VanderPlas

  authored and

  saran-t

  committed
  6fcb842

• Use jax.tree_util.tree_map in place of deprecated tree_multimap.

  Show description for 956c4b5
  

  Jake VanderPlas

  authored and

  saran-t

  committed
  956c4b5

Commits on May 26, 2022

• Update enformer-training.ipynb to show how to restore from checkpoint.

  Show description for 11c2ab5
  

  Kyle Taylor

  authored and

  alimuldal

  committed
  11c2ab5

• Minor changes to match trained SOTA model.

  Show description for 57456a0
  

  Kyle Taylor

  authored and

  alimuldal

  committed
  57456a0

• Remove dependency on kernel-pruner.

  Show description for d436681
  

  saran-t

  authored and

  alimuldal

  committed
  d436681

• Remove conda install instructions for DM21

  Show description for a97d8b1
  

  jsspencer

  authored and

  alimuldal

  committed
  a97d8b1

• Remove unused comments related to Python 2 compatibility.

  Show description for f4916da
  

  yilei

  authored and

  alimuldal

  committed
  f4916da

• Remove unused comments related to Python 2 compatibility.

  Show description for 9470270
  

  yilei

  authored and

  alimuldal

  committed
  9470270

• Remove unused comments related to Python 2 compatibility.

  Show description for 5501e32
  

  yilei

  authored and

  alimuldal

  committed
  5501e32

• Copybara import of the project:

  Show description for 81dedaf
  

  sharadmv

  authored and

  alimuldal

  committed
  81dedaf

• Remove unused comments related to Python 2 compatibility.

  Show description for 34b2486
  

  yilei

  authored and

  alimuldal

  committed
  34b2486

• Remove unused comments related to Python 2 compatibility.

  Show description for 152ac28
  

  yilei

  authored and

  alimuldal

  committed
  152ac28

• Remove unused comments related to Python 2 compatibility.

  Show description for 9a526bd
  

  yilei

  authored and

  alimuldal

  committed
  9a526bd

• Explicitly import estimator from tensorflow as a separate import instead of accessing it via tf.estimator and depend on the tensorflow estimator target.

  Show description for 92a307a
  

  DeepMind Team

  authored and

  alimuldal

  committed
  92a307a

• Silence some pytype errors.

  Show description for 464939e
  

  rchen152

  authored and

  alimuldal

  committed
  464939e

• Added new models.

  Show description for 8e24fbb
  

  Sven Gowal

  authored and

  alimuldal

  committed
  8e24fbb

• Allow alternative functions to load extra data.

  Show description for b2fa23c
  

  Sven Gowal

  authored and

  alimuldal

  committed
  b2fa23c

• Use new MuJoCo python bindings to implement dm_control/mujoco.

  Show description for 3cb13ea
  

  nimrod-gileadi

  authored and

  alimuldal

  committed
  3cb13ea

• Migrate away from using JaxTestCase in tests

  Show description for 255e4e1
  

  Jake VanderPlas

  authored and

  alimuldal

  committed
  255e4e1

• Internal change

  Show description for f30fae8
  

  qstanczyk

  authored and

  alimuldal

  committed
  f30fae8

• Expose times_sampled in SampleInfo.

  Show description for ded41df
  

  acassirer

  authored and

  alimuldal

  committed
  ded41df

Commits on Feb 16, 2022

• Release fusion_tcv

  Show description for 1642ae3
  diegolascasas

  committed
  1642ae3

• Added a missing link to the pseudocode.

  Show description for 96a3d4e
  

  Karel Lenc

  authored and

  diegolascasas

  committed
  96a3d4e

• Add split_rng=False (current default) to HTM.

  Show description for 7b17dd5
  

  tomhennigan

  authored and

  diegolascasas

  committed
  7b17dd5

• Silence upcoming type errors in Python 3.9.

  Show description for 840bfe8
  

  rchen152

  authored and

  diegolascasas

  committed
  840bfe8

• JaxTestCase now sets jax_numpy_rank_promotion='raise' by default

  Show description for 35be4a0
  

  Jake VanderPlas

  authored and

  diegolascasas

  committed
  35be4a0

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